(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid

C12H13NO5 — CID 115056802

IUPAC(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1cccc(CN2C[C@H](C(=O)O)OC2=O)c1
InChIInChI=1S/C12H13NO5/c1-17-9-4-2-3-8(5-9)6-13-7-10(11(14)15)18-12(13)16/h2-5,10H,6-7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyIWODQTMHBJMXKN-SNVBAGLBSA-N
MW251.24 g/mol
LogP1.10
Rot. Bonds4

About (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid

(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 115056802) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID115056802
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1cccc(CN2C[C@H](C(=O)O)OC2=O)c1
InChIInChI=1S/C12H13NO5/c1-17-9-4-2-3-8(5-9)6-13-7-10(11(14)15)18-12(13)16/h2-5,10H,6-7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyIWODQTMHBJMXKN-SNVBAGLBSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222629
3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid
CID 115060369
1-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
4-[(3-methoxyphenyl)methyl]thiomorpholine-3-carboxylic acid
CID 82906012
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 115056802) is (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid is COc1cccc(CN2C[C@H](C(=O)O)OC2=O)c1.
What is the InChIKey of (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is IWODQTMHBJMXKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO5/c1-17-9-4-2-3-8(5-9)6-13-7-10(11(14)15)18-12(13)16/h2-5,10H,6-7H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 115056802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).