(2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide

C7H10N4O — CID 163910000

IUPAC(2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide
SMILESC=NC(=O)[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C7H10N4O/c1-9-7(12)6(8)2-5-3-10-4-11-5/h3-4,6H,1-2,8H2,(H,10,11)/t6-/m1/s1
InChIKeyQRGDXQZAJYUBFH-ZCFIWIBFSA-N
MW166.18 g/mol
LogP-0.49
Rot. Bonds3

About (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide

(2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide (PubChem CID 163910000) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide
PubChem CID163910000
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide
SMILESC=NC(=O)[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C7H10N4O/c1-9-7(12)6(8)2-5-3-10-4-11-5/h3-4,6H,1-2,8H2,(H,10,11)/t6-/m1/s1
InChIKeyQRGDXQZAJYUBFH-ZCFIWIBFSA-N
XLogP-0.49
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
CID 67449717
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
nitroso (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 87399631
bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
CID 3047336

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide?
The IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide (CID 163910000) is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide is C=NC(=O)[C@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide?
The InChIKey is QRGDXQZAJYUBFH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N4O/c1-9-7(12)6(8)2-5-3-10-4-11-5/h3-4,6H,1-2,8H2,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide?
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide has a molecular weight of 166.18 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide is sourced from PubChem (CID 163910000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).