3-(2-methylbutanoylamino)oxolane-3-carboxylic acid

C10H17NO4 — CID 64888643

IUPAC3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
SMILESCCC(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H17NO4/c1-3-7(2)8(12)11-10(9(13)14)4-5-15-6-10/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFYTUTDIJVGSUQK-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds4

About 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid

3-(2-methylbutanoylamino)oxolane-3-carboxylic acid (PubChem CID 64888643) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
PubChem CID64888643
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
SMILESCCC(C)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H17NO4/c1-3-7(2)8(12)11-10(9(13)14)4-5-15-6-10/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyFYTUTDIJVGSUQK-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(2-methylbutanoylamino)oxolane-3-carboxylic 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

3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 106917281
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891249
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82962021
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034
3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid (CID 64888643) is 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid is CCC(C)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid?
The InChIKey is FYTUTDIJVGSUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-7(2)8(12)11-10(9(13)14)4-5-15-6-10/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid?
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutanoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64888643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).