2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid

C14H22N2O3 — CID 79277245

IUPAC2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C14H22N2O3/c1-3-9-15(11-14(18)19)10-13(17)16(4-2)12-7-5-6-8-12/h3,7H,1,4-6,8-11H2,2H3,(H,18,19)
InChIKeyMDABTGFOCMJBAR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.48
Rot. Bonds8

About 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid (PubChem CID 79277245) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
PubChem CID79277245
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C14H22N2O3/c1-3-9-15(11-14(18)19)10-13(17)16(4-2)12-7-5-6-8-12/h3,7H,1,4-6,8-11H2,2H3,(H,18,19)
InChIKeyMDABTGFOCMJBAR-UHFFFAOYSA-N
XLogP1.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]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-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid (CID 79277245) is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(=O)N(CC)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The InChIKey is MDABTGFOCMJBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-9-15(11-14(18)19)10-13(17)16(4-2)12-7-5-6-8-12/h3,7H,1,4-6,8-11H2,2H3,(H,18,19).
What are the key properties of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79277245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).