2-(1H-imidazole-2-carbonylamino)pentanoic acid

C9H13N3O3 — CID 167781868

IUPAC2-(1H-imidazole-2-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ncc[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-3-6(9(14)15)12-8(13)7-10-4-5-11-7/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyALHOOHGWGONEOC-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.39
Rot. Bonds5

About 2-(1H-imidazole-2-carbonylamino)pentanoic acid

2-(1H-imidazole-2-carbonylamino)pentanoic acid (PubChem CID 167781868) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(1H-imidazole-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1H-imidazole-2-carbonylamino)pentanoic acid
PubChem CID167781868
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(1H-imidazole-2-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ncc[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-3-6(9(14)15)12-8(13)7-10-4-5-11-7/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyALHOOHGWGONEOC-UHFFFAOYSA-N
XLogP0.39
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 125041047
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
2-(1H-imidazol-2-yl)pentanoic acid
CID 122588172
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 43630226
(2R,4S)-4-(1H-imidazole-2-carbonylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59608323
2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
CID 43630457
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazole-2-carbonylamino)pentanoic acid?
The IUPAC name of 2-(1H-imidazole-2-carbonylamino)pentanoic acid (CID 167781868) is 2-(1H-imidazole-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(1H-imidazole-2-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(1H-imidazole-2-carbonylamino)pentanoic acid is CCCC(NC(=O)c1ncc[nH]1)C(=O)O.
What is the InChIKey of 2-(1H-imidazole-2-carbonylamino)pentanoic acid?
The InChIKey is ALHOOHGWGONEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-6(9(14)15)12-8(13)7-10-4-5-11-7/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-(1H-imidazole-2-carbonylamino)pentanoic acid?
2-(1H-imidazole-2-carbonylamino)pentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazole-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 167781868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).