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

C9H17NO2 — CID 90264855

IUPAC3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)CC(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)5-9(12)10-7(3)8(4)11/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyMJGORBZXLJELQX-ZETCQYMHSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

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

3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (PubChem CID 90264855) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
PubChem CID90264855
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
SMILESCC(=O)[C@H](C)NC(=O)CC(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)5-9(12)10-7(3)8(4)11/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyMJGORBZXLJELQX-ZETCQYMHSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-oxobutan-2-yl)propanamide
CID 22943760
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
methyl 4-oxo-4-(3-oxobutan-2-ylamino)butanoate
CID 167666613
N-hydroxy-3-methylbutanamide
CID 13258739
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
CID 155261151
N-iodo-3-methylbutanamide
CID 135276105
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
methyl 8-oxo-8-(3-oxobutan-2-ylamino)octanoate
CID 167554716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide (CID 90264855) is 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is CC(=O)[C@H](C)NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
The InChIKey is MJGORBZXLJELQX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)5-9(12)10-7(3)8(4)11/h6-7H,5H2,1-4H3,(H,10,12)/t7-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide?
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide is sourced from PubChem (CID 90264855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).