2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H27NO3 — CID 61071684

IUPAC2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC(C)C)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H27NO3/c1-4-16(11-12(2)3)13(17)9-15(10-14(18)19)7-5-6-8-15/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyUGXTXYMLNZXWDY-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.92
Rot. Bonds7

About 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071684) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071684
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC(C)C)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H27NO3/c1-4-16(11-12(2)3)13(17)9-15(10-14(18)19)7-5-6-8-15/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyUGXTXYMLNZXWDY-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]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-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61071684) is 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CCN(CC(C)C)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is UGXTXYMLNZXWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-16(11-12(2)3)13(17)9-15(10-14(18)19)7-5-6-8-15/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).