2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid

C11H15N3O4 — CID 54926611

IUPAC2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C11H15N3O4/c15-9(16)6-14(7-3-1-2-4-7)10(17)8-5-12-11(18)13-8/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,18)
InChIKeyJLQMYTUMFROCEZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.17
Rot. Bonds4

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

2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (PubChem CID 54926611) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
PubChem CID54926611
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C11H15N3O4/c15-9(16)6-14(7-3-1-2-4-7)10(17)8-5-12-11(18)13-8/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,18)
InChIKeyJLQMYTUMFROCEZ-UHFFFAOYSA-N
XLogP0.17
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (CID 54926611) is 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1c[nH]c(=O)[nH]1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is JLQMYTUMFROCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9(16)6-14(7-3-1-2-4-7)10(17)8-5-12-11(18)13-8/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,18).
What are the key properties of 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 54926611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).