(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid

C8H13NO2 — CID 177295796

IUPAC(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
SMILESCC=C[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h2-3,6-7,9H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyGBIAFCAEOPULBB-RQJHMYQMSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds2

About (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid

(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid (PubChem CID 177295796) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
PubChem CID177295796
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
SMILESCC=C[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h2-3,6-7,9H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyGBIAFCAEOPULBB-RQJHMYQMSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
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

(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 130705030
ethane;5-[(2Z,4E)-hepta-2,4-dien-4-yl]pyrrolidine-2-carboxylic acid
CID 143195151
5-formyl-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
CID 142059042
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
bis((2S,5S)-5-hydroxypyrrolidine-2-carboxylic acid);silver
CID 50897483
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650
(3S,6S)-diazinane-3,6-dicarboxylic acid
CID 131115204
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
1-[(2S,5S)-5-ethenylpyrrolidin-2-yl]ethanone
CID 118680062
(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
CID 101274474

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid (CID 177295796) is (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid is CC=C[C@@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid?
The InChIKey is GBIAFCAEOPULBB-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h2-3,6-7,9H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid?
(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 177295796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).