(3R)-3-amino-4-oxohexanamide

C6H12N2O2 — CID 139478456

IUPAC(3R)-3-amino-4-oxohexanamide
SMILESCCC(=O)[C@H](N)CC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-5(9)4(7)3-6(8)10/h4H,2-3,7H2,1H3,(H2,8,10)/t4-/m1/s1
InChIKeyQIUYWFDASGSANK-SCSAIBSYSA-N
MW144.17 g/mol
LogP-0.83
Rot. Bonds4

About (3R)-3-amino-4-oxohexanamide

(3R)-3-amino-4-oxohexanamide (PubChem CID 139478456) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R)-3-amino-4-oxohexanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-oxohexanamide
PubChem CID139478456
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3R)-3-amino-4-oxohexanamide
SMILESCCC(=O)[C@H](N)CC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-5(9)4(7)3-6(8)10/h4H,2-3,7H2,1H3,(H2,8,10)/t4-/m1/s1
InChIKeyQIUYWFDASGSANK-SCSAIBSYSA-N
XLogP-0.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

(2S)-1,2-diaminopentan-3-one
CID 88560983
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(2S)-2-amino-1-sulfanylpentan-3-one
CID 71474608
2-amino-1-sulfanylpentan-3-one
CID 59888433
(3S)-3-amino-5-(hydroxyamino)-4-oxopentanamide
CID 88513048
2-amino-N-ethylsulfonylbutanediamide
CID 103306832
4-aminoheptan-3-one;ethane
CID 143359235
[(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57067480
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148
(2R)-2,4-diamino-4-oxobutanoate
CID 5460878
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-oxohexanamide?
The IUPAC name of (3R)-3-amino-4-oxohexanamide (CID 139478456) is (3R)-3-amino-4-oxohexanamide.
What is the SMILES notation for (3R)-3-amino-4-oxohexanamide?
The canonical SMILES for (3R)-3-amino-4-oxohexanamide is CCC(=O)[C@H](N)CC(N)=O.
What is the InChIKey of (3R)-3-amino-4-oxohexanamide?
The InChIKey is QIUYWFDASGSANK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-5(9)4(7)3-6(8)10/h4H,2-3,7H2,1H3,(H2,8,10)/t4-/m1/s1.
What are the key properties of (3R)-3-amino-4-oxohexanamide?
(3R)-3-amino-4-oxohexanamide has a molecular weight of 144.17 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-oxohexanamide is sourced from PubChem (CID 139478456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).