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

C13H23NO4 — CID 62934758

IUPAC3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCC1CCCO1
InChIInChI=1S/C13H23NO4/c1-13(2,9-12(16)17)8-11(15)14-6-5-10-4-3-7-18-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHCOHABMBXWSZNG-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds7

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

3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid (PubChem CID 62934758) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
PubChem CID62934758
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCC1CCCO1
InChIInChI=1S/C13H23NO4/c1-13(2,9-12(16)17)8-11(15)14-6-5-10-4-3-7-18-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHCOHABMBXWSZNG-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 ≤ 103

Analyze 3,3-dimethyl-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

Related Compounds

2-[1-[2-(3-Methoxypropylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 4377347
Propan-2-yl 5-[(3-hydroxy-2-methylpropyl)amino]-2-methyl-5-oxopentanoate
CID 139360179
2,2,4,4-Tetramethyl-5-[3-[3-methyl-3-(propanoylamino)butoxy]butylamino]-5-oxopentanoic acid
CID 145279248
5-[3-(4-Carboxyhexan-2-yloxy)propylamino]-2-ethyl-5-oxopentanoic acid
CID 145747186
2-[1-[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 3929903
2-Ethyl-5-(2-hydroxypropylamino)-2,4,4-trimethyl-5-oxopentanoic acid
CID 23523240
5-Oxo-5-{[3-(propan-2-yloxy)propyl]amino}pentanoic acid
CID 25246738
5-[(3-Butoxypropyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 25246771
5-(3-Cyclohexyloxypropylamino)-5-oxopentanoic acid
CID 54867552
2,2-Diethyl-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 54917059
3-Methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
CID 55155032
5-[3-(2-Methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 55155959

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid (CID 62934758) is 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid is CC(C)(CC(=O)O)CC(=O)NCCC1CCCO1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
The InChIKey is HCOHABMBXWSZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,9-12(16)17)8-11(15)14-6-5-10-4-3-7-18-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid?
3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 62934758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).