2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid

C10H14N2O3 — CID 103124423

IUPAC2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cn1cc[nH]c1=O
InChIInChI=1S/C10H14N2O3/c13-9(14)8-3-1-2-7(8)6-12-5-4-11-10(12)15/h4-5,7-8H,1-3,6H2,(H,11,15)(H,13,14)
InChIKeyDRMFLJPTKLTPMJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.68
Rot. Bonds3

About 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid

2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 103124423) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID103124423
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cn1cc[nH]c1=O
InChIInChI=1S/C10H14N2O3/c13-9(14)8-3-1-2-7(8)6-12-5-4-11-10(12)15/h4-5,7-8H,1-3,6H2,(H,11,15)(H,13,14)
InChIKeyDRMFLJPTKLTPMJ-UHFFFAOYSA-N
XLogP0.68
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid (CID 103124423) is 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Cn1cc[nH]c1=O.
What is the InChIKey of 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is DRMFLJPTKLTPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9(14)8-3-1-2-7(8)6-12-5-4-11-10(12)15/h4-5,7-8H,1-3,6H2,(H,11,15)(H,13,14).
What are the key properties of 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-imidazol-3-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103124423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).