(4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid

C5H9NO4 — CID 24804854

IUPAC(4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1COC(CO)N1
InChIInChI=1S/C5H9NO4/c7-1-4-6-3(2-10-4)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4?/m0/s1
InChIKeyCVMOWXNPEQEJDF-WUCPZUCCSA-N
MW147.13 g/mol
LogP-1.62
Rot. Bonds2

About (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid

(4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 24804854) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID24804854
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1COC(CO)N1
InChIInChI=1S/C5H9NO4/c7-1-4-6-3(2-10-4)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4?/m0/s1
InChIKeyCVMOWXNPEQEJDF-WUCPZUCCSA-N
XLogP-1.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid (CID 24804854) is (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid is O=C(O)[C@@H]1COC(CO)N1.
What is the InChIKey of (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is CVMOWXNPEQEJDF-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H9NO4/c7-1-4-6-3(2-10-4)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4?/m0/s1.
What are the key properties of (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid?
(4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 147.13 g/mol, XLogP of -1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(hydroxymethyl)-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 24804854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).