(2S)-2-amino-6-oxohexanamide

C6H12N2O2 — CID 54192853

IUPAC(2S)-2-amino-6-oxohexanamide
SMILESNC(=O)[C@@H](N)CCCC=O
InChIInChI=1S/C6H12N2O2/c7-5(6(8)10)3-1-2-4-9/h4-5H,1-3,7H2,(H2,8,10)/t5-/m0/s1
InChIKeyPJSOKXPUANMMRJ-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.83
Rot. Bonds5

About (2S)-2-amino-6-oxohexanamide

(2S)-2-amino-6-oxohexanamide (PubChem CID 54192853) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S)-2-amino-6-oxohexanamide.

Molecular Properties

Compound Name(2S)-2-amino-6-oxohexanamide
PubChem CID54192853
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S)-2-amino-6-oxohexanamide
SMILESNC(=O)[C@@H](N)CCCC=O
InChIInChI=1S/C6H12N2O2/c7-5(6(8)10)3-1-2-4-9/h4-5H,1-3,7H2,(H2,8,10)/t5-/m0/s1
InChIKeyPJSOKXPUANMMRJ-YFKPBYRVSA-N
XLogP-0.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-oxohexanamide
CID 175466908
(Z)-2-aminooctadec-9-enamide
CID 56663673
2-amino-6-oxohexanoic acid;1,1-diethoxyethane
CID 87538679
7,9-diamino-5-(aminomethyl)-6-oxononanal
CID 54159206
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
2-aminododecanamide;hydrochloride
CID 14881390
CID 20816022
CID 20816022
20-amino-20-hydroxyicosanal
CID 89131353
(2S)-2-amino-6-(2-iminoethylamino)hexanamide
CID 87946743
2-methyl-6-oxohexanoic acid
CID 19986900
5-acetyl-6-oxoheptanal;zirconium
CID 87182173
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-oxohexanamide?
The IUPAC name of (2S)-2-amino-6-oxohexanamide (CID 54192853) is (2S)-2-amino-6-oxohexanamide.
What is the SMILES notation for (2S)-2-amino-6-oxohexanamide?
The canonical SMILES for (2S)-2-amino-6-oxohexanamide is NC(=O)[C@@H](N)CCCC=O.
What is the InChIKey of (2S)-2-amino-6-oxohexanamide?
The InChIKey is PJSOKXPUANMMRJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5(6(8)10)3-1-2-4-9/h4-5H,1-3,7H2,(H2,8,10)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-6-oxohexanamide?
(2S)-2-amino-6-oxohexanamide has a molecular weight of 144.17 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-oxohexanamide is sourced from PubChem (CID 54192853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).