4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide

C10H19NO2 — CID 129136562

IUPAC4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
SMILESCC(=O)[C@H](C)NC(=O)CCC(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)5-6-10(13)11-8(3)9(4)12/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyATIONKPQLYDJLC-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds5

About 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide

4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide (PubChem CID 129136562) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
PubChem CID129136562
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
SMILESCC(=O)[C@H](C)NC(=O)CCC(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)5-6-10(13)11-8(3)9(4)12/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyATIONKPQLYDJLC-QMMMGPOBSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
N-(3-oxobutan-2-yl)propanamide
CID 22943760
methyl 4-oxo-4-(3-oxobutan-2-ylamino)butanoate
CID 167666613
N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
CID 155261151
methyl 8-oxo-8-(3-oxobutan-2-ylamino)octanoate
CID 167554716
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
(9Z,11E)-N-(3-oxobutan-2-yl)octadeca-9,11-dienamide
CID 158414740
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
CID 62092791
N-(1-chlorobutan-2-yl)-4-methylpentanamide
CID 114294455

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide?
The IUPAC name of 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide (CID 129136562) is 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide?
The canonical SMILES for 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide is CC(=O)[C@H](C)NC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide?
The InChIKey is ATIONKPQLYDJLC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)5-6-10(13)11-8(3)9(4)12/h7-8H,5-6H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide?
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 129136562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).