(2S,5S)-5-propylpyrrolidine-2-carboxylic acid

C8H15NO2 — CID 87390010

IUPAC(2S,5S)-5-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C8H15NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyGLQUMRZKIIVKPG-BQBZGAKWSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds3

About (2S,5S)-5-propylpyrrolidine-2-carboxylic acid

(2S,5S)-5-propylpyrrolidine-2-carboxylic acid (PubChem CID 87390010) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S,5S)-5-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-propylpyrrolidine-2-carboxylic acid
PubChem CID87390010
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S,5S)-5-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C8H15NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyGLQUMRZKIIVKPG-BQBZGAKWSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-propylpyrrolidine-2-carboxylic acid (CID 87390010) is (2S,5S)-5-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-propylpyrrolidine-2-carboxylic acid is CCC[C@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5S)-5-propylpyrrolidine-2-carboxylic acid?
The InChIKey is GLQUMRZKIIVKPG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,5S)-5-propylpyrrolidine-2-carboxylic acid?
(2S,5S)-5-propylpyrrolidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 87390010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).