methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate

C9H15NO3 — CID 101469363

IUPACmethyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1C[C@@H](O)CN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyWTFGSXAWPYATRX-JGVFFNPUSA-N
MW185.22 g/mol
LogP0.76
Rot. Bonds2

About methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate

methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 101469363) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID101469363
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1C[C@@H](O)CN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyWTFGSXAWPYATRX-JGVFFNPUSA-N
XLogP0.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S)-4-[(1R)-1-hydroxypent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10968083
tert-butyl (2R)-2-[(1R)-1-hydroxyprop-2-enyl]pyrrolidine-1-carboxylate
CID 15939100
(4R,5S)-4-[(1R)-1-hydroxyethyl]-3-methyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 49837210
tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 146165269
Methyl (2R,4S)-2-allyl-4-hydroxy-pyrrolidine-1-carboxylate
CID 162342084
Tert-butyl 2-(1-hydroxyprop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 5323992
1,1-Dimethylethyl (4S)-4-((1S)-1-hydroxy-4-penten-1-yl)-2,2-dimethyl-3-oxazolidinecarboxylate
CID 165340966
(2S)-1-(1-Boc-2-pyrrolidinyl)prop-2-en-1-ol
CID 10922247
tert-butyl (2R,3S)-2-ethenyl-3-hydroxypyrrolidine-1-carboxylate
CID 11009286
tert-butyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11845447
tert-butyl (2R,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847162
tert-butyl (2S,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847164

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate (CID 101469363) is methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@H]1C[C@@H](O)CN1C(=O)OC.
What is the InChIKey of methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is WTFGSXAWPYATRX-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-4-7-5-8(11)6-10(7)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m0/s1.
What are the key properties of methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate?
methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 101469363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).