3-(butanoylamino)oxolane-3-carboxylic acid

C9H15NO4 — CID 64889566

IUPAC3-(butanoylamino)oxolane-3-carboxylic acid
SMILESCCCC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C9H15NO4/c1-2-3-7(11)10-9(8(12)13)4-5-14-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyRDEQDKPHFJERSZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.15
Rot. Bonds4

About 3-(butanoylamino)oxolane-3-carboxylic acid

3-(butanoylamino)oxolane-3-carboxylic acid (PubChem CID 64889566) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(butanoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(butanoylamino)oxolane-3-carboxylic acid
PubChem CID64889566
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(butanoylamino)oxolane-3-carboxylic acid
SMILESCCCC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C9H15NO4/c1-2-3-7(11)10-9(8(12)13)4-5-14-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyRDEQDKPHFJERSZ-UHFFFAOYSA-N
XLogP0.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]oxolane-3-carboxylic acid
CID 120688779
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid
CID 103161981
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890387
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(butanoylamino)oxolane-3-carboxylic acid (CID 64889566) is 3-(butanoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(butanoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(butanoylamino)oxolane-3-carboxylic acid is CCCC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(butanoylamino)oxolane-3-carboxylic acid?
The InChIKey is RDEQDKPHFJERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-3-7(11)10-9(8(12)13)4-5-14-6-9/h2-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(butanoylamino)oxolane-3-carboxylic acid?
3-(butanoylamino)oxolane-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64889566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).