2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid

C9H13NO4 — CID 118432389

IUPAC2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESC=CC(C)[C@H]1OC(=O)N[C@@H]1CC(=O)O
InChIInChI=1S/C9H13NO4/c1-3-5(2)8-6(4-7(11)12)10-9(13)14-8/h3,5-6,8H,1,4H2,2H3,(H,10,13)(H,11,12)/t5?,6-,8-/m1/s1
InChIKeyJPBWLIJHFHWLAV-KYVYOHOSSA-N
MW199.21 g/mol
LogP0.76
Rot. Bonds4

About 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid

2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 118432389) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid
PubChem CID118432389
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid
SMILESC=CC(C)[C@H]1OC(=O)N[C@@H]1CC(=O)O
InChIInChI=1S/C9H13NO4/c1-3-5(2)8-6(4-7(11)12)10-9(13)14-8/h3,5-6,8H,1,4H2,2H3,(H,10,13)(H,11,12)/t5?,6-,8-/m1/s1
InChIKeyJPBWLIJHFHWLAV-KYVYOHOSSA-N
XLogP0.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
CID 11806785
2-((4R,5R)-5-((R)-But-3-en-2-yl)-2-oxooxazolidin-4-yl)acetic acid
CID 102314450
(4R,5R)-5-((R)-but-3-en-2-yl)-4-(2-hydroxyethyl)oxazolidin-2-one
CID 118432394
(4R,5R)-5-but-3-en-2-yl-4-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 118432396
2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid
CID 166715277
tert-butyl N-[(2R,3R)-5-oxo-2-prop-2-enyloxolan-3-yl]carbamate
CID 11746776
tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate
CID 73083578
tert-butyl N-[(2S,3R)-5-oxo-2-prop-2-enyloxolan-3-yl]carbamate
CID 131034201

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid (CID 118432389) is 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid is C=CC(C)[C@H]1OC(=O)N[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is JPBWLIJHFHWLAV-KYVYOHOSSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-5(2)8-6(4-7(11)12)10-9(13)14-8/h3,5-6,8H,1,4H2,2H3,(H,10,13)(H,11,12)/t5?,6-,8-/m1/s1.
What are the key properties of 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid?
2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 118432389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).