(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide

C9H16N4O — CID 79014032

IUPAC(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1cnc[nH]1
InChIInChI=1S/C9H16N4O/c1-6(2)8(10)9(14)12-4-7-3-11-5-13-7/h3,5-6,8H,4,10H2,1-2H3,(H,11,13)(H,12,14)/t8-/m1/s1
InChIKeyMGBJXTMCODKXRN-MRVPVSSYSA-N
MW196.25 g/mol
LogP0.01
Rot. Bonds4

About (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide

(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide (PubChem CID 79014032) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
PubChem CID79014032
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1cnc[nH]1
InChIInChI=1S/C9H16N4O/c1-6(2)8(10)9(14)12-4-7-3-11-5-13-7/h3,5-6,8H,4,10H2,1-2H3,(H,11,13)(H,12,14)/t8-/m1/s1
InChIKeyMGBJXTMCODKXRN-MRVPVSSYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
CID 115747411
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 73353617
2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
CID 107472326
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-3-methylbutanoic acid;hydrochloride
CID 174386105
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
4-[(2-amino-3-methylbutanoyl)amino]-5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 18232317
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N,4-dimethylpentanamide
CID 23572345
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide (CID 79014032) is (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCc1cnc[nH]1.
What is the InChIKey of (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide?
The InChIKey is MGBJXTMCODKXRN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)8(10)9(14)12-4-7-3-11-5-13-7/h3,5-6,8H,4,10H2,1-2H3,(H,11,13)(H,12,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide?
(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide has a molecular weight of 196.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 79014032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).