(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

C10H18N4O — CID 79013544

IUPAC(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1nccn1C
InChIInChI=1S/C10H18N4O/c1-7(2)9(11)10(15)13-6-8-12-4-5-14(8)3/h4-5,7,9H,6,11H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyPZIWGNHTTAMVRB-SECBINFHSA-N
MW210.28 g/mol
LogP0.02
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (PubChem CID 79013544) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
PubChem CID79013544
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1nccn1C
InChIInChI=1S/C10H18N4O/c1-7(2)9(11)10(15)13-6-8-12-4-5-14(8)3/h4-5,7,9H,6,11H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyPZIWGNHTTAMVRB-SECBINFHSA-N
XLogP0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 116549035
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide
CID 130993471
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (CID 79013544) is (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is CC(C)[C@@H](N)C(=O)NCc1nccn1C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The InChIKey is PZIWGNHTTAMVRB-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9(11)10(15)13-6-8-12-4-5-14(8)3/h4-5,7,9H,6,11H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 79013544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).