4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid

C13H23NO4 — CID 119357318

IUPAC4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCC1CCOC1
InChIInChI=1S/C13H23NO4/c1-13(2,7-5-12(16)17)14-11(15)4-3-10-6-8-18-9-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUNGLBNXUCUNZFZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds7

About 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid

4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid (PubChem CID 119357318) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
PubChem CID119357318
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCC1CCOC1
InChIInChI=1S/C13H23NO4/c1-13(2,7-5-12(16)17)14-11(15)4-3-10-6-8-18-9-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUNGLBNXUCUNZFZ-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 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]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

4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
CID 119351070
N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide
CID 119570738
5-(oxolan-3-yl)pentanoic acid
CID 142409072
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
4-methyl-4-[[4-(oxolan-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122094321
N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119642266
N-[3-(methylamino)propyl]-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119432420
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374
2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide
CID 71994809
3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 60520430

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid (CID 119357318) is 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCC1CCOC1.
What is the InChIKey of 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid?
The InChIKey is UNGLBNXUCUNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,7-5-12(16)17)14-11(15)4-3-10-6-8-18-9-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid?
4-methyl-4-[3-(oxolan-3-yl)propanoylamino]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 4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119357318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).