3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid

C12H21NO4 — CID 55155032

IUPAC3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCC1CCCO1
InChIInChI=1S/C12H21NO4/c1-9(8-12(15)16)7-11(14)13-5-4-10-3-2-6-17-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeySPFJZOGCFPJPHM-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds7

About 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid

3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid (PubChem CID 55155032) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
PubChem CID55155032
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCC1CCCO1
InChIInChI=1S/C12H21NO4/c1-9(8-12(15)16)7-11(14)13-5-4-10-3-2-6-17-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeySPFJZOGCFPJPHM-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic 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 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid (CID 55155032) is 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid is CC(CC(=O)O)CC(=O)NCCC1CCCO1.
What is the InChIKey of 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
The InChIKey is SPFJZOGCFPJPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(8-12(15)16)7-11(14)13-5-4-10-3-2-6-17-10/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 55155032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).