(4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid

C9H15NO3 — CID 151067548

IUPAC(4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)O
InChIInChI=1S/C9H15NO3/c1-5-7-6(2)13-9(3,4)10(7)8(11)12/h5-7H,1H2,2-4H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyMHLDXNCAJDYWDZ-RNFRBKRXSA-N
MW185.22 g/mol
LogP1.68
Rot. Bonds1

About (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid

(4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 151067548) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID151067548
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)O
InChIInChI=1S/C9H15NO3/c1-5-7-6(2)13-9(3,4)10(7)8(11)12/h5-7H,1H2,2-4H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyMHLDXNCAJDYWDZ-RNFRBKRXSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
(4S)-4-(2,2-difluoroethenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 169779280
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717
(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 11240840
(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11298337
(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
CID 11435514
(4R,5R)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
CID 15177633
(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
CID 15177634
(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 24749118
(4S,5S)-4,5-bis(ethenyl)-3-[(2R)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 121006507

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid (CID 151067548) is (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid is C=C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)O.
What is the InChIKey of (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is MHLDXNCAJDYWDZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-7-6(2)13-9(3,4)10(7)8(11)12/h5-7H,1H2,2-4H3,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
(4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 151067548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).