2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid

C14H22N2O3 — CID 64702376

IUPAC2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid
SMILESC=CCN(CC=C)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22N2O3/c1-3-9-16(10-4-2)13(19)15-14(11-12(17)18)7-5-6-8-14/h3-4H,1-2,5-11H2,(H,15,19)(H,17,18)
InChIKeyOQSMISDIZKAZGV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.16
Rot. Bonds7

About 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 64702376) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID64702376
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid
SMILESC=CCN(CC=C)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22N2O3/c1-3-9-16(10-4-2)13(19)15-14(11-12(17)18)7-5-6-8-14/h3-4H,1-2,5-11H2,(H,15,19)(H,17,18)
InChIKeyOQSMISDIZKAZGV-UHFFFAOYSA-N
XLogP2.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid (CID 64702376) is 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid is C=CCN(CC=C)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is OQSMISDIZKAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-9-16(10-4-2)13(19)15-14(11-12(17)18)7-5-6-8-14/h3-4H,1-2,5-11H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(prop-2-enyl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).