3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid

C11H17NO4 — CID 103925898

IUPAC3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CCC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H17NO4/c13-9(6-8-2-1-3-8)12-11(10(14)15)4-5-16-7-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyYGYSBZKAJIAYNI-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.54
Rot. Bonds4

About 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid

3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 103925898) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
PubChem CID103925898
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CCC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H17NO4/c13-9(6-8-2-1-3-8)12-11(10(14)15)4-5-16-7-11/h8H,1-7H2,(H,12,13)(H,14,15)
InChIKeyYGYSBZKAJIAYNI-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid
CID 103161981
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 79328195
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889873

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid (CID 103925898) is 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid is O=C(CC1CCC1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is YGYSBZKAJIAYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-9(6-8-2-1-3-8)12-11(10(14)15)4-5-16-7-11/h8H,1-7H2,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid?
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103925898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).