4-amino-1H-imidazole-5-carboxylic acid

C4H5N3O2 — CID 117

IUPAC4-amino-1H-imidazole-5-carboxylic acid
SMILESNc1nc[nH]c1C(=O)O
InChIInChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)
InChIKeyPWCLNQLPYQVWAB-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.31
Rot. Bonds1

About 4-amino-1H-imidazole-5-carboxylic acid

4-amino-1H-imidazole-5-carboxylic acid (PubChem CID 117) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 4-amino-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-1H-imidazole-5-carboxylic acid
PubChem CID117
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name4-amino-1H-imidazole-5-carboxylic acid
SMILESNc1nc[nH]c1C(=O)O
InChIInChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)
InChIKeyPWCLNQLPYQVWAB-UHFFFAOYSA-N
XLogP-0.31
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazole-4-carboxylic acid
CID 14080
1H-Imidazole-4,5-dicarboxylic acid
CID 68442
2-methyl-1H-imidazole-4-carboxylic acid
CID 73824
4-Methyl-1H-imidazole-5-carboxylic acid
CID 73825
methyl 5-amino-1H-imidazole-4-carboxylate
CID 266758
ethyl 4-amino-1H-imidazole-5-carboxylate
CID 343359
1H-Imidazole-4-carboxylic acid, 5-(3,3-dimethyl-1-triazenyl)-, methyl ester
CID 135478737
2-Amino-1H-imidazole-5-carboxylic acid
CID 541782
4-fluoro-1H-imidazole-5-carboxylic acid
CID 582575
5-Ureidoimidazole-4-carboxylic acid
CID 155
2-Ethyl-1H-imidazole-4-carboxylic acid
CID 578816
2,5-difluoro-1H-imidazole-4-carboxylic acid
CID 583099

Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-amino-1H-imidazole-5-carboxylic acid (CID 117) is 4-amino-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-amino-1H-imidazole-5-carboxylic acid is Nc1nc[nH]c1C(=O)O.
What is the InChIKey of 4-amino-1H-imidazole-5-carboxylic acid?
The InChIKey is PWCLNQLPYQVWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9).
What are the key properties of 4-amino-1H-imidazole-5-carboxylic acid?
4-amino-1H-imidazole-5-carboxylic acid has a molecular weight of 127.10 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).