(4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C11H19NO4 — CID 166756964

IUPAC(4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC[C@@](C)(O)[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C11H19NO4/c1-5-6-11(4,15)8-7-16-10(2,3)12(8)9(13)14/h5,8,15H,1,6-7H2,2-4H3,(H,13,14)/t8-,11+/m0/s1
InChIKeyVXQLEDUOMWTHOH-GZMMTYOYSA-N
MW229.28 g/mol
LogP1.43
Rot. Bonds3

About (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 166756964) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID166756964
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC[C@@](C)(O)[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C11H19NO4/c1-5-6-11(4,15)8-7-16-10(2,3)12(8)9(13)14/h5,8,15H,1,6-7H2,2-4H3,(H,13,14)/t8-,11+/m0/s1
InChIKeyVXQLEDUOMWTHOH-GZMMTYOYSA-N
XLogP1.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.43
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 (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 166756964) is (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is C=CC[C@@](C)(O)[C@@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is VXQLEDUOMWTHOH-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-6-11(4,15)8-7-16-10(2,3)12(8)9(13)14/h5,8,15H,1,6-7H2,2-4H3,(H,13,14)/t8-,11+/m0/s1.
What are the key properties of (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-hydroxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 166756964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).