2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid

C15H26N2O4 — CID 64701305

IUPAC2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCOC2CCCC2)CCCC1
InChIInChI=1S/C15H26N2O4/c18-13(19)11-15(7-3-4-8-15)17-14(20)16-9-10-21-12-5-1-2-6-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyJWCLZZHZDMWQFB-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.03
Rot. Bonds7

About 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64701305) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64701305
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCOC2CCCC2)CCCC1
InChIInChI=1S/C15H26N2O4/c18-13(19)11-15(7-3-4-8-15)17-14(20)16-9-10-21-12-5-1-2-6-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyJWCLZZHZDMWQFB-UHFFFAOYSA-N
XLogP2.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid (CID 64701305) is 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)NCCOC2CCCC2)CCCC1.
What is the InChIKey of 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is JWCLZZHZDMWQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-13(19)11-15(7-3-4-8-15)17-14(20)16-9-10-21-12-5-1-2-6-12/h12H,1-11H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentyloxyethylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).