(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide

C8H13N3O2 — CID 130637454

IUPAC(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@@H](O)C(=O)NCc1nccn1C
InChIInChI=1S/C8H13N3O2/c1-6(12)8(13)10-5-7-9-3-4-11(7)2/h3-4,6,12H,5H2,1-2H3,(H,10,13)/t6-/m1/s1
InChIKeyBZDMBFGYVMUJLF-ZCFIWIBFSA-N
MW183.21 g/mol
LogP-0.58
Rot. Bonds3

About (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide

(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 130637454) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID130637454
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@@H](O)C(=O)NCc1nccn1C
InChIInChI=1S/C8H13N3O2/c1-6(12)8(13)10-5-7-9-3-4-11(7)2/h3-4,6,12H,5H2,1-2H3,(H,10,13)/t6-/m1/s1
InChIKeyBZDMBFGYVMUJLF-ZCFIWIBFSA-N
XLogP-0.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 130637454) is (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide is C[C@@H](O)C(=O)NCc1nccn1C.
What is the InChIKey of (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is BZDMBFGYVMUJLF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(12)8(13)10-5-7-9-3-4-11(7)2/h3-4,6,12H,5H2,1-2H3,(H,10,13)/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide?
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 130637454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).