(3R)-3-acetamido-4-oxopentanamide

C7H12N2O3 — CID 58664367

IUPAC(3R)-3-acetamido-4-oxopentanamide
SMILESCC(=O)N[C@H](CC(N)=O)C(C)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)6(3-7(8)12)9-5(2)11/h6H,3H2,1-2H3,(H2,8,12)(H,9,11)/t6-/m1/s1
InChIKeyJGUZZHCNMMNHFQ-ZCFIWIBFSA-N
MW172.18 g/mol
LogP-1.04
Rot. Bonds4

About (3R)-3-acetamido-4-oxopentanamide

(3R)-3-acetamido-4-oxopentanamide (PubChem CID 58664367) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (3R)-3-acetamido-4-oxopentanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-4-oxopentanamide
PubChem CID58664367
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(3R)-3-acetamido-4-oxopentanamide
SMILESCC(=O)N[C@H](CC(N)=O)C(C)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)6(3-7(8)12)9-5(2)11/h6H,3H2,1-2H3,(H2,8,12)(H,9,11)/t6-/m1/s1
InChIKeyJGUZZHCNMMNHFQ-ZCFIWIBFSA-N
XLogP-1.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
1-amino-N-[(3S)-1-amino-1,4-dioxopentan-3-yl]cyclohexane-1-carboxamide
CID 71218807
(2S)-2-acetamido-N-(2-sulfanylprop-2-enyl)butanediamide
CID 146019225
2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide
CID 58964008
2-acetamidopentanamide
CID 23273489
(2S)-2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
CID 10590079
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
(3S)-4-oxo-3-(propan-2-ylsulfonylamino)pentanamide
CID 122663018
(4R)-4-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-5-oxopentanoic acid
CID 155280251
(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
CID 100933689
S-(2-acetamido-3-amino-3-oxopropyl) ethanethioate
CID 21122768
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-4-oxopentanamide?
The IUPAC name of (3R)-3-acetamido-4-oxopentanamide (CID 58664367) is (3R)-3-acetamido-4-oxopentanamide.
What is the SMILES notation for (3R)-3-acetamido-4-oxopentanamide?
The canonical SMILES for (3R)-3-acetamido-4-oxopentanamide is CC(=O)N[C@H](CC(N)=O)C(C)=O.
What is the InChIKey of (3R)-3-acetamido-4-oxopentanamide?
The InChIKey is JGUZZHCNMMNHFQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(10)6(3-7(8)12)9-5(2)11/h6H,3H2,1-2H3,(H2,8,12)(H,9,11)/t6-/m1/s1.
What are the key properties of (3R)-3-acetamido-4-oxopentanamide?
(3R)-3-acetamido-4-oxopentanamide has a molecular weight of 172.18 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-4-oxopentanamide is sourced from PubChem (CID 58664367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).