N-(1-Oxododecyl)-L-valine

HCID 26658
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Basic information

CAS
14379-28-3
Standard SMILES
CCCCCCCCCCCC(=O)N[C@H](C(=O)O)C(C)C
InChIKey
WQHXCNGQDLRDMP-INIZCTEOSA-N
Molecular formula
C17H33NO3
Average molar mass
299.4 g/mol
Monoisotopic mass
299.24604392

Names & identifiers

Preferred name
N-(1-Oxododecyl)-L-valine
IUPAC
(2S)-2-(dodecanoylamino)-3-methylbutanoic acid
English name
N-Dodecanoyl-L-valine
Molecular formula
C17H33NO3
Molecular weight
299.45

Names & synonyms

14379-28-3N-(1-OXODODECYL)-L-VALINEN-lauroyl-L-valineL-Valine, N-(1-oxododecyl)-(2S)-2-(dodecanoylamino)-3-methylbutanoic acidN-lauroylvalineN-DODECANOYL-VALINEN-dodecanoyl-l-valSCHEMBL2636223N-(1-Hydroxydodecylidene)valineDTXSID10932101WQHXCNGQDLRDMP-INIZCTEOSA-N
Show more names
N-DODECANOYL-L-VALINEN-Dodecanoyl-L-valine USP/EP/BP3-methyl-2-(1-oxododecylamino)butanoic acid
N-(1-Hydroxydodecylidene)-L-valineAKOS014787207

Database identifiers

CAS
14379-28-3
PubChem CID
26658
DTXSID
DTXSID10932101
Nikkaji
J615.321F

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
13
Heavy atoms
21

Physicochemical properties

Melting point
97 · 97-99 °C
Boiling point
470.197 · 470.197±28.00 °C(Press: 760.00 Torr)(predicted)
Density
0.965 · 0.965±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
3.626 · 3.626±0.10(predicted)

Chemistry & industry

Suppliers10 total

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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