3-[3-(oxolan-3-yl)propanoylamino]propanoic acid

C10H17NO4 — CID 119351070

IUPAC3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCC1CCOC1
InChIInChI=1S/C10H17NO4/c12-9(11-5-3-10(13)14)2-1-8-4-6-15-7-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyCNDBEIYHRUFOIW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds6

About 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid

3-[3-(oxolan-3-yl)propanoylamino]propanoic acid (PubChem CID 119351070) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
PubChem CID119351070
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)CCC1CCOC1
InChIInChI=1S/C10H17NO4/c12-9(11-5-3-10(13)14)2-1-8-4-6-15-7-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyCNDBEIYHRUFOIW-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(oxolan-3-yl)propanoylamino]propanoic 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

N-[3-(methylamino)propyl]-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119432420
4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
CID 119357318
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
5-(oxolan-3-yl)pentanoic acid
CID 142409072
3-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557757
2-[2-[3-(oxan-4-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242709
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374
N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119642266
4-(oxolan-3-ylmethylamino)butanoic acid
CID 60782844
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
N-[1-(aminomethyl)cyclopentyl]-3-(oxolan-3-yl)propanamide
CID 119567070

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid (CID 119351070) is 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid is O=C(O)CCNC(=O)CCC1CCOC1.
What is the InChIKey of 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid?
The InChIKey is CNDBEIYHRUFOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-9(11-5-3-10(13)14)2-1-8-4-6-15-7-8/h8H,1-7H2,(H,11,12)(H,13,14).
What are the key properties of 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid?
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-3-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 119351070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).