(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide

C9H16N4O — CID 130993471

IUPAC(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1nccn1C
InChIInChI=1S/C9H16N4O/c1-6(2)7(10)8(14)12-9-11-4-5-13(9)3/h4-7H,10H2,1-3H3,(H,11,12,14)/t7-/m0/s1
InChIKeyZNKXSAWRHKKYMC-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide

(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide (PubChem CID 130993471) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide
PubChem CID130993471
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1nccn1C
InChIInChI=1S/C9H16N4O/c1-6(2)7(10)8(14)12-9-11-4-5-13(9)3/h4-7H,10H2,1-3H3,(H,11,12,14)/t7-/m0/s1
InChIKeyZNKXSAWRHKKYMC-ZETCQYMHSA-N
XLogP0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide
CID 127004699
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
methyl (4S)-4-amino-5-[(1-methylimidazol-2-yl)amino]-5-oxopentanoate
CID 57173939
(2S)-2-amino-N-(1-methylimidazol-2-yl)-3-phenylpropanamide
CID 15837349
methyl (2S)-2-amino-5-[(1-methylimidazol-2-yl)amino]-5-oxopentanoate
CID 139662879
2-methyl-N-(1-methylimidazol-2-yl)-3-pyrazol-1-ylpropanamide
CID 134714430
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
CID 110470347
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 116549035
ethyl 2-[(1-methylimidazol-2-yl)amino]propanoate
CID 62133474
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 61148022
N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
CID 62133303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide (CID 130993471) is (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide is CC(C)[C@H](N)C(=O)Nc1nccn1C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide?
The InChIKey is ZNKXSAWRHKKYMC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)7(10)8(14)12-9-11-4-5-13(9)3/h4-7H,10H2,1-3H3,(H,11,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide?
(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 130993471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).