2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid

C13H21NO5 — CID 54926754

IUPAC2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid
SMILESCCOC(=O)CCC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H21NO5/c1-2-19-13(18)8-7-11(15)14(9-12(16)17)10-5-3-4-6-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeySSWVILGUGCFHBU-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.19
Rot. Bonds7

About 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid

2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid (PubChem CID 54926754) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid
PubChem CID54926754
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid
SMILESCCOC(=O)CCC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H21NO5/c1-2-19-13(18)8-7-11(15)14(9-12(16)17)10-5-3-4-6-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeySSWVILGUGCFHBU-UHFFFAOYSA-N
XLogP1.19
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid (CID 54926754) is 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid is CCOC(=O)CCC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid?
The InChIKey is SSWVILGUGCFHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-19-13(18)8-7-11(15)14(9-12(16)17)10-5-3-4-6-10/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid?
2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid has a molecular weight of 271.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(4-ethoxy-4-oxobutanoyl)amino]acetic acid is sourced from PubChem (CID 54926754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).