(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

C11H11NO4 — CID 11401767

IUPAC(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESO=C1N[C@@H](Cc2ccccc2)[C@H](C(=O)O)O1
InChIInChI=1S/C11H11NO4/c13-10(14)9-8(12-11(15)16-9)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,15)(H,13,14)/t8-,9+/m0/s1
InChIKeyFBUUHKVPEQLWKF-DTWKUNHWSA-N
MW221.21 g/mol
LogP0.79
Rot. Bonds3

About (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 11401767) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID11401767
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESO=C1N[C@@H](Cc2ccccc2)[C@H](C(=O)O)O1
InChIInChI=1S/C11H11NO4/c13-10(14)9-8(12-11(15)16-9)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,15)(H,13,14)/t8-,9+/m0/s1
InChIKeyFBUUHKVPEQLWKF-DTWKUNHWSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 11401767) is (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is O=C1N[C@@H](Cc2ccccc2)[C@H](C(=O)O)O1.
What is the InChIKey of (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is FBUUHKVPEQLWKF-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H11NO4/c13-10(14)9-8(12-11(15)16-9)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,15)(H,13,14)/t8-,9+/m0/s1.
What are the key properties of (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?
(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 11401767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).