2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid

C15H26N2O3 — CID 60834611

IUPAC2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
SMILESC=C(C)CN(CC)C(=O)CN(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H26N2O3/c1-4-16(9-12(2)3)14(18)10-17(11-15(19)20)13-7-5-6-8-13/h13H,2,4-11H2,1,3H3,(H,19,20)
InChIKeyLQKYBIVNSTYGEF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.74
Rot. Bonds8

About 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid

2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 60834611) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID60834611
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
SMILESC=C(C)CN(CC)C(=O)CN(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H26N2O3/c1-4-16(9-12(2)3)14(18)10-17(11-15(19)20)13-7-5-6-8-13/h13H,2,4-11H2,1,3H3,(H,19,20)
InChIKeyLQKYBIVNSTYGEF-UHFFFAOYSA-N
XLogP1.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]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

Related Compounds

ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate
CID 62027430
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-cyclopentyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 86978195
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
CID 63299759
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
2-[2-aminoethyl(cyclohexyl)amino]-N,N-diethylacetamide
CID 63760461
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid (CID 60834611) is 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid is C=C(C)CN(CC)C(=O)CN(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is LQKYBIVNSTYGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-16(9-12(2)3)14(18)10-17(11-15(19)20)13-7-5-6-8-13/h13H,2,4-11H2,1,3H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid?
2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60834611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).