(2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid

C7H11NO2 — CID 15736008

IUPAC(2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid
SMILESC=C[C@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C7H11NO2/c1-2-5-3-4-6(8-5)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyLHZVEMUCVVXLGQ-WDSKDSINSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds2

About (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid

(2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid (PubChem CID 15736008) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid
PubChem CID15736008
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid
SMILESC=C[C@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C7H11NO2/c1-2-5-3-4-6(8-5)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyLHZVEMUCVVXLGQ-WDSKDSINSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyleneproline
CID 558375
4-methylene-L-proline
CID 152301
(s)-4-Methylenepyrrolidine-2-carboxylic acid hydrochloride
CID 45262144
(2S,4R)-4-Allylpyrrolidine-2-carboxylic acid
CID 2762087
trans-5-Vinyl-l-proline
CID 15736009
2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
CID 22244153
trans-3-Vinylproline
CID 66922173
4-Fluoro-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69626376
(2S)-4-fluoro-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69626378
(2S,5R/S)-5-Vinylpyrrolidine-2-carboxylic acid ethyl ester
CID 69044148
methyl (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylate
CID 123730106
(2S)-5-but-3-enylpyrrolidine-2-carboxylic acid
CID 91510603

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid (CID 15736008) is (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid is C=C[C@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid?
The InChIKey is LHZVEMUCVVXLGQ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-5-3-4-6(8-5)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid?
(2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-ethenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15736008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).