2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid

C13H23NO4 — CID 67543575

IUPAC2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)C(NCC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(17)11(14-8-10(15)16)9-6-4-5-7-9/h9,11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyHKFZGEQUZDVFFA-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds5

About 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid

2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid (PubChem CID 67543575) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
PubChem CID67543575
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)C(NCC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(17)11(14-8-10(15)16)9-6-4-5-7-9/h9,11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyHKFZGEQUZDVFFA-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid (CID 67543575) is 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid is CC(C)(C)OC(=O)C(NCC(=O)O)C1CCCC1.
What is the InChIKey of 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?
The InChIKey is HKFZGEQUZDVFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)11(14-8-10(15)16)9-6-4-5-7-9/h9,11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?
2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 67543575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).