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

C7H11NO5 — CID 69438165

IUPAC(5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCC[C@@H](O)[C@H]1CN(C(=O)O)C(=O)O1
InChIInChI=1S/C7H11NO5/c1-2-4(9)5-3-8(6(10)11)7(12)13-5/h4-5,9H,2-3H2,1H3,(H,10,11)/t4-,5-/m1/s1
InChIKeyCHXCRKUVIRPPFQ-RFZPGFLSSA-N
MW189.17 g/mol
LogP0.26
Rot. Bonds2

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

(5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 69438165) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID69438165
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name(5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCC[C@@H](O)[C@H]1CN(C(=O)O)C(=O)O1
InChIInChI=1S/C7H11NO5/c1-2-4(9)5-3-8(6(10)11)7(12)13-5/h4-5,9H,2-3H2,1H3,(H,10,11)/t4-,5-/m1/s1
InChIKeyCHXCRKUVIRPPFQ-RFZPGFLSSA-N
XLogP0.26
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid (CID 69438165) is (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid is CC[C@@H](O)[C@H]1CN(C(=O)O)C(=O)O1.
What is the InChIKey of (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is CHXCRKUVIRPPFQ-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H11NO5/c1-2-4(9)5-3-8(6(10)11)7(12)13-5/h4-5,9H,2-3H2,1H3,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
(5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 69438165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).