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

C10H15NO3 — CID 166715277

IUPAC2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid
SMILESC=C[C@@H](C)[C@H]1OC(=C)N[C@@H]1CC(=O)O
InChIInChI=1S/C10H15NO3/c1-4-6(2)10-8(5-9(12)13)11-7(3)14-10/h4,6,8,10-11H,1,3,5H2,2H3,(H,12,13)/t6-,8-,10-/m1/s1
InChIKeyMEGKJAWTFNXHRY-GTNGPMTGSA-N
MW197.23 g/mol
LogP1.11
Rot. Bonds4

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

2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid (PubChem CID 166715277) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid
PubChem CID166715277
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid
SMILESC=C[C@@H](C)[C@H]1OC(=C)N[C@@H]1CC(=O)O
InChIInChI=1S/C10H15NO3/c1-4-6(2)10-8(5-9(12)13)11-7(3)14-10/h4,6,8,10-11H,1,3,5H2,2H3,(H,12,13)/t6-,8-,10-/m1/s1
InChIKeyMEGKJAWTFNXHRY-GTNGPMTGSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid (CID 166715277) is 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid is C=C[C@@H](C)[C@H]1OC(=C)N[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid?
The InChIKey is MEGKJAWTFNXHRY-GTNGPMTGSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-6(2)10-8(5-9(12)13)11-7(3)14-10/h4,6,8,10-11H,1,3,5H2,2H3,(H,12,13)/t6-,8-,10-/m1/s1.
What are the key properties of 2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid?
2-[(4R,5R)-5-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.11, 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-[(2R)-but-3-en-2-yl]-2-methylidene-1,3-oxazolidin-4-yl]acetic acid is sourced from PubChem (CID 166715277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).