3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

C8H11NO4 — CID 83846944

IUPAC3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCC1C(C(=O)O)OC(=O)N1C1CC1
InChIInChI=1S/C8H11NO4/c1-4-6(7(10)11)13-8(12)9(4)5-2-3-5/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyAYFWIDQEEBAOHL-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.44
Rot. Bonds2

About 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 83846944) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID83846944
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCC1C(C(=O)O)OC(=O)N1C1CC1
InChIInChI=1S/C8H11NO4/c1-4-6(7(10)11)13-8(12)9(4)5-2-3-5/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyAYFWIDQEEBAOHL-UHFFFAOYSA-N
XLogP0.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 129249020
2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid
CID 96613832
(4S,5S)-2-oxo-1,3-dioxolane-4,5-dicarboxylic acid
CID 102101581
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
(2R,3S)-5-oxooxolane-2,3-dicarboxylic acid;5-oxooxolane-2,3-dicarboxylic acid
CID 160880182
cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid
CID 114173319
3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 123354245
4-methyl-3-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 4992744
(4R,5S)-4-methyl-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23996982
[2-[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 5004117
(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23733118
3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115006183

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 83846944) is 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is CC1C(C(=O)O)OC(=O)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is AYFWIDQEEBAOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4-6(7(10)11)13-8(12)9(4)5-2-3-5/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 83846944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).