3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid

C14H22N2O3 — CID 54926123

IUPAC3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESC=CCN(CC=C)C(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C14H22N2O3/c1-3-8-15(9-4-2)13(17)11-16(12-5-6-12)10-7-14(18)19/h3-4,12H,1-2,5-11H2,(H,18,19)
InChIKeyFIGOTKJSOLXSQK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.13
Rot. Bonds10

About 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid

3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid (PubChem CID 54926123) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
PubChem CID54926123
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESC=CCN(CC=C)C(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C14H22N2O3/c1-3-8-15(9-4-2)13(17)11-16(12-5-6-12)10-7-14(18)19/h3-4,12H,1-2,5-11H2,(H,18,19)
InChIKeyFIGOTKJSOLXSQK-UHFFFAOYSA-N
XLogP1.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839878
3-[cyclopropyl(2,3-dichloroprop-2-enyl)amino]propanoic acid
CID 79172969
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
CID 43529248
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60839363
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
CID 60839017
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
CID 54997632

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid (CID 54926123) is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid is C=CCN(CC=C)C(=O)CN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
The InChIKey is FIGOTKJSOLXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-8-15(9-4-2)13(17)11-16(12-5-6-12)10-7-14(18)19/h3-4,12H,1-2,5-11H2,(H,18,19).
What are the key properties of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid?
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 54926123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).