3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C10H13N3O4 — CID 66030548

IUPAC3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-8(7-4-11-10(17)13-7)12-6-2-1-5(3-6)9(15)16/h4-6H,1-3H2,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyILDKYDDXQNOZML-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.31
Rot. Bonds3

About 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030548) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030548
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-8(7-4-11-10(17)13-7)12-6-2-1-5(3-6)9(15)16/h4-6H,1-3H2,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyILDKYDDXQNOZML-UHFFFAOYSA-N
XLogP-0.31
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66030548) is 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ILDKYDDXQNOZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8(7-4-11-10(17)13-7)12-6-2-1-5(3-6)9(15)16/h4-6H,1-3H2,(H,12,14)(H,15,16)(H2,11,13,17).
What are the key properties of 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).