(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

C12H15NO4 — CID 143497170

IUPAC(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCC1CC=CC=C1CN1C(=O)OC[C@@H]1C(=O)O
InChIInChI=1S/C12H15NO4/c1-8-4-2-3-5-9(8)6-13-10(11(14)15)7-17-12(13)16/h2-3,5,8,10H,4,6-7H2,1H3,(H,14,15)/t8?,10-/m1/s1
InChIKeyFLIVVMVOZFSFRK-LHIURRSHSA-N
MW237.25 g/mol
LogP1.41
Rot. Bonds3

About (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 143497170) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID143497170
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCC1CC=CC=C1CN1C(=O)OC[C@@H]1C(=O)O
InChIInChI=1S/C12H15NO4/c1-8-4-2-3-5-9(8)6-13-10(11(14)15)7-17-12(13)16/h2-3,5,8,10H,4,6-7H2,1H3,(H,14,15)/t8?,10-/m1/s1
InChIKeyFLIVVMVOZFSFRK-LHIURRSHSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 143497170) is (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is CC1CC=CC=C1CN1C(=O)OC[C@@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is FLIVVMVOZFSFRK-LHIURRSHSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-4-2-3-5-9(8)6-13-10(11(14)15)7-17-12(13)16/h2-3,5,8,10H,4,6-7H2,1H3,(H,14,15)/t8?,10-/m1/s1.
What are the key properties of (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 143497170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).