(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide

C9H16N4O — CID 63562983

IUPAC(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O/c1-6(2)5-7(10)8(14)13-9-11-3-4-12-9/h3-4,6-7H,5,10H2,1-2H3,(H2,11,12,13,14)/t7-/m0/s1
InChIKeyDSJOSFGPNVIAHW-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.72
Rot. Bonds4

About (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide

(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide (PubChem CID 63562983) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
PubChem CID63562983
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O/c1-6(2)5-7(10)8(14)13-9-11-3-4-12-9/h3-4,6-7H,5,10H2,1-2H3,(H2,11,12,13,14)/t7-/m0/s1
InChIKeyDSJOSFGPNVIAHW-ZETCQYMHSA-N
XLogP0.72
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
CID 131084397
5-amino-N-(1H-imidazol-2-yl)hexanamide
CID 82852623
(2S)-2-amino-6-(1-aminoethylideneamino)-N-(1H-imidazol-2-yl)hexanamide
CID 15516535
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide
CID 60968491
2-amino-2-cyclobutyl-N-(1H-imidazol-2-yl)acetamide
CID 130806434
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide (CID 63562983) is (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ncc[nH]1.
What is the InChIKey of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide?
The InChIKey is DSJOSFGPNVIAHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)5-7(10)8(14)13-9-11-3-4-12-9/h3-4,6-7H,5,10H2,1-2H3,(H2,11,12,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide?
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide has a molecular weight of 196.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 63562983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).