1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid

C9H13NO4 — CID 115446001

IUPAC1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C1OCCN1CC1(C(=O)O)CCC1
InChIInChI=1S/C9H13NO4/c11-7(12)9(2-1-3-9)6-10-4-5-14-8(10)13/h1-6H2,(H,11,12)
InChIKeyLGXOMOLEAZAIDU-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.69
Rot. Bonds3

About 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid

1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446001) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID115446001
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C1OCCN1CC1(C(=O)O)CCC1
InChIInChI=1S/C9H13NO4/c11-7(12)9(2-1-3-9)6-10-4-5-14-8(10)13/h1-6H2,(H,11,12)
InChIKeyLGXOMOLEAZAIDU-UHFFFAOYSA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 115433705
3-[(4-hydroxyoxan-4-yl)methyl]-1,3-oxazolidin-2-one
CID 104550613
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
2-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
CID 107836616
1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid
CID 56798009
1-[[(3aS,7aR)-7a-fluoro-5-methyl-1-oxo-3a,4,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-yl]methyl]cyclobutane-1-carboxylic acid
CID 167108444
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
CID 81318059
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
CID 115437046

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid (CID 115446001) is 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid is O=C1OCCN1CC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is LGXOMOLEAZAIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-7(12)9(2-1-3-9)6-10-4-5-14-8(10)13/h1-6H2,(H,11,12).
What are the key properties of 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).