6-amino-2-oxoheptanoic acid

C7H13NO3 — CID 87327623

IUPAC6-amino-2-oxoheptanoic acid
SMILESCC(N)CCCC(=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(8)3-2-4-6(9)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)
InChIKeyGFZSQWJAQNJAGT-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.16
Rot. Bonds5

About 6-amino-2-oxoheptanoic acid

6-amino-2-oxoheptanoic acid (PubChem CID 87327623) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 6-amino-2-oxoheptanoic acid.

Molecular Properties

Compound Name6-amino-2-oxoheptanoic acid
PubChem CID87327623
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name6-amino-2-oxoheptanoic acid
SMILESCC(N)CCCC(=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(8)3-2-4-6(9)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)
InChIKeyGFZSQWJAQNJAGT-UHFFFAOYSA-N
XLogP0.16
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-aminohexanamide;hydrochloride
CID 174367343
bis(hexan-2-amine);oxalic acid
CID 175216358
(6S)-6-aminoheptanoic acid
CID 54134193
10-aminoundecanoic acid
CID 3771397
14-aminopentadecanoic acid
CID 87306551
2-aminohexanedioic acid;2-oxohexanedioic acid
CID 175488251
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
2-aminoundecan-6-one
CID 116610207
5-amino-N,N-diethylhexanamide
CID 82848451
bis(hexan-2-amine);hexanedioic acid
CID 174667104
3-methylbutyl 2-oxopropanoate;6-methyl-2-oxoheptanoic acid
CID 158476016
2-aminohexanedioic acid;2-oxohexanedioic acid;urea
CID 175488248

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-oxoheptanoic acid?
The IUPAC name of 6-amino-2-oxoheptanoic acid (CID 87327623) is 6-amino-2-oxoheptanoic acid.
What is the SMILES notation for 6-amino-2-oxoheptanoic acid?
The canonical SMILES for 6-amino-2-oxoheptanoic acid is CC(N)CCCC(=O)C(=O)O.
What is the InChIKey of 6-amino-2-oxoheptanoic acid?
The InChIKey is GFZSQWJAQNJAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(8)3-2-4-6(9)7(10)11/h5H,2-4,8H2,1H3,(H,10,11).
What are the key properties of 6-amino-2-oxoheptanoic acid?
6-amino-2-oxoheptanoic acid has a molecular weight of 159.19 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-oxoheptanoic acid is sourced from PubChem (CID 87327623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).