2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid

C11H18N2O3 — CID 64702183

IUPAC2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid
SMILESC=CCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C11H18N2O3/c1-2-7-12-10(16)13-11(8-9(14)15)5-3-4-6-11/h2H,1,3-8H2,(H,14,15)(H2,12,13,16)
InChIKeyVUUOWIKHUFXWSX-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64702183) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64702183
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid
SMILESC=CCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C11H18N2O3/c1-2-7-12-10(16)13-11(8-9(14)15)5-3-4-6-11/h2H,1,3-8H2,(H,14,15)(H2,12,13,16)
InChIKeyVUUOWIKHUFXWSX-UHFFFAOYSA-N
XLogP1.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.26
H-Bond Donors ≤ 53
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-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid (CID 64702183) is 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid is C=CCNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is VUUOWIKHUFXWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-7-12-10(16)13-11(8-9(14)15)5-3-4-6-11/h2H,1,3-8H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(prop-2-enylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64702183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).