(2S)-5-but-3-enylpyrrolidine-2-carboxylic acid

C9H15NO2 — CID 91510603

IUPAC(2S)-5-but-3-enylpyrrolidine-2-carboxylic acid
SMILESC=CCCC1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO2/c1-2-3-4-7-5-6-8(10-7)9(11)12/h2,7-8,10H,1,3-6H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyLCFCSSGQRRMVJV-MQWKRIRWSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds4

About (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid

(2S)-5-but-3-enylpyrrolidine-2-carboxylic acid (PubChem CID 91510603) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-but-3-enylpyrrolidine-2-carboxylic acid
PubChem CID91510603
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S)-5-but-3-enylpyrrolidine-2-carboxylic acid
SMILESC=CCCC1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO2/c1-2-3-4-7-5-6-8(10-7)9(11)12/h2,7-8,10H,1,3-6H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyLCFCSSGQRRMVJV-MQWKRIRWSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid (CID 91510603) is (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid is C=CCCC1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid?
The InChIKey is LCFCSSGQRRMVJV-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-4-7-5-6-8(10-7)9(11)12/h2,7-8,10H,1,3-6H2,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid?
(2S)-5-but-3-enylpyrrolidine-2-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-but-3-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 91510603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).