2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide

C8H15NO2 — CID 90262242

IUPAC2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
SMILESCC(=O)[C@@H](C)NC(=O)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)8(11)9-6(3)7(4)10/h5-6H,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyJXDQUEVZIJPZSX-ZCFIWIBFSA-N
MW157.21 g/mol
LogP0.74
Rot. Bonds3

About 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide

2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide (PubChem CID 90262242) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
PubChem CID90262242
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
SMILESCC(=O)[C@@H](C)NC(=O)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)8(11)9-6(3)7(4)10/h5-6H,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyJXDQUEVZIJPZSX-ZCFIWIBFSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
CID 167135190
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-(3-oxobutan-2-yl)propanamide
CID 22943760
2-formamido-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 145262331
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
methyl 2-oxo-2-(3-oxobutan-2-ylamino)acetate
CID 54325209
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide (CID 90262242) is 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide is CC(=O)[C@@H](C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide?
The InChIKey is JXDQUEVZIJPZSX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)8(11)9-6(3)7(4)10/h5-6H,1-4H3,(H,9,11)/t6-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide?
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide is sourced from PubChem (CID 90262242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).