2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid

C13H14N4O3 — CID 14199032

IUPAC2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid
SMILESNc1ncn(Cc2ccccc2)c1C(=O)NCC(=O)O
InChIInChI=1S/C13H14N4O3/c14-12-11(13(20)15-6-10(18)19)17(8-16-12)7-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,20)(H,18,19)
InChIKeySEDNTSOPUVCMGI-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.33
Rot. Bonds5

About 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid

2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid (PubChem CID 14199032) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid
PubChem CID14199032
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid
SMILESNc1ncn(Cc2ccccc2)c1C(=O)NCC(=O)O
InChIInChI=1S/C13H14N4O3/c14-12-11(13(20)15-6-10(18)19)17(8-16-12)7-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,20)(H,18,19)
InChIKeySEDNTSOPUVCMGI-UHFFFAOYSA-N
XLogP0.33
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]acetyl]amino]acetic acid
CID 110496555
3-benzyl-5-ethylimidazole-4-carboxylic acid
CID 130117883
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide
CID 18360488
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
1-benzyl-5-chloroimidazole-4-carboxylic acid
CID 68558649
3-benzyl-5-methyl-N-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496574
3-benzyl-5-(2,6-difluorophenyl)imidazol-4-amine
CID 62019787
5-amino-3-[(3,5-dimethylphenyl)methyl]imidazole-4-carboxamide
CID 18360492
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
2-benzamidoacetic acid;hydrofluoride
CID 174760685

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid (CID 14199032) is 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid is Nc1ncn(Cc2ccccc2)c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is SEDNTSOPUVCMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-12-11(13(20)15-6-10(18)19)17(8-16-12)7-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,20)(H,18,19).
What are the key properties of 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid?
2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-benzylimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 14199032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).