(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)(4-hydroxyphenyl)acetic acid

HCID 3018895
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Basic information

CAS
79868-75-0
Standard SMILES
CCN1CCN(C(=O)NC(C(=O)O)c2ccc(O)cc2)C(=O)C1=O
InChIKey
IPARGUVYMOMVNU-UHFFFAOYSA-N
Molecular formula
C15H17N3O6
Average molar mass
335.31 g/mol

Names & identifiers

Preferred name
(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)(4-hydroxyphenyl)acetic acid
IUPAC
2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
English name
{[(4-Ethyl-2,3-Dioxo-1-Piperazinyl) Carbonyl]Amino}-4-Hydroxy-Benzene Acetic Acid
Molecular formula
C15H17N3O6
Molecular weight
335.31

Names & synonyms

79868-75-0{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(4-hydroxyphenyl)acetic acidEINECS 279-328-3(((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)(4-hydroxyphenyl)acetic acid[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino](4-hydroxyphenyl)acetic acidalpha-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acidalpha-(((4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-4-hydroxybenzeneacetic acidRefChem:389417279-328-32-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acidSCHEMBL9327248
Show more names
{[(4-Ethyl-24-ethyl-N-(4-hydroxyphenyl)-2,3-dioxo-1-piperazinecarboxamide3-Dioxo-1-Piperazinyl) Carbonyl]Amino}-4-Hydroxy-Benzene Acetic Acidα-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic Acid{[(4-Ethyl-2,3-Dioxo-1-Piperazinyl) Carbonyl]Amino}-4-Hydroxy-Benzene Acetic AcidD-(-)-4-Ethyl-2,3-dioxo-1-piperazine amide-p-Hydroxybenzene Acetic acid (HO-EPCP))-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acidBenzeneacetic acid, α-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxy-
MFCD04966687STK182593AKOS005411683AB07108LS-14398carbonyl]amino]-4-hydroxybenzeneacetic acidDB-054319NS00062179

Database identifiers

CAS
79868-75-0
PubChem CID
3018895
EC Number
279-328-3
Nikkaji
J320.196A

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
127 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Physicochemical properties

Density
1.456 · 1.456±0.06 g/cm3(Predicted)
pka
3.4 · 3.40±0.10(Predicted)

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Applications

Usesα-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acid is used in the preparation of Cefoperazone an antibiotic.

Suppliers14 total

HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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