2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid

C10H16N4O3 — CID 64519075

IUPAC2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C10H16N4O3/c1-3-14(7-9(15)16)10(17)13(2)6-8-11-4-5-12-8/h4-5H,3,6-7H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyFMGRSDPHXJGMLC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.37
Rot. Bonds5

About 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid

2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 64519075) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID64519075
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C10H16N4O3/c1-3-14(7-9(15)16)10(17)13(2)6-8-11-4-5-12-8/h4-5H,3,6-7H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyFMGRSDPHXJGMLC-UHFFFAOYSA-N
XLogP0.37
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 64518115
2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519851
3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 64518886
1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea
CID 167768832
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
CID 82407276
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid (CID 64519075) is 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is FMGRSDPHXJGMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-14(7-9(15)16)10(17)13(2)6-8-11-4-5-12-8/h4-5H,3,6-7H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid?
2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 64519075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).