2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid

C9H13NO4 — CID 130986064

IUPAC2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCOC1
InChIInChI=1S/C9H13NO4/c11-8(10-3-4-14-5-10)6-1-2-7(6)9(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyUUXQOJPYEVSDIN-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.09
Rot. Bonds2

About 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid

2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 130986064) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID130986064
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCOC1
InChIInChI=1S/C9H13NO4/c11-8(10-3-4-14-5-10)6-1-2-7(6)9(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyUUXQOJPYEVSDIN-UHFFFAOYSA-N
XLogP-0.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976260
5-(1,3-oxazolidine-3-carbonyl)pyrrolidin-2-one
CID 110746563
2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120977278
2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120976907

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid (CID 130986064) is 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)N1CCOC1.
What is the InChIKey of 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is UUXQOJPYEVSDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-8(10-3-4-14-5-10)6-1-2-7(6)9(12)13/h6-7H,1-5H2,(H,12,13).
What are the key properties of 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid?
2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130986064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).