Pentanoic acid, 5-amino-4-oxo-, heptyl ester

HCID 10376528CAS 140898-99-3
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Basic information

Standard SMILES
CCCCCCCOC(=O)CCC(=O)CN
InChIKey
APAZHFNMSZDPOQ-UHFFFAOYSA-N
Molecular formula
C12H23NO3
Average molar mass
229.32 g/mol
Monoisotopic mass
229.1677936

Names & identifiers

Preferred name
Pentanoic acid, 5-amino-4-oxo-, heptyl ester
IUPAC
heptyl 5-amino-4-oxopentanoate

Names & synonyms

Pentanoic acid, 5-amino-4-oxo-, heptyl esterHEPTYL 5-AMINO-4-OXOPENTANOATE140898-99-3SCHEMBL3822297DTXSID00438945

Database identifiers

CAS
140898-99-3
PubChem CID
10376528
DTXSID
DTXSID00438945
Nikkaji
J1.058.795F

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
69.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
16

Related reactions

1 records
New reaction record

Linked notes

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