1-propylpyrrolidine-2-carboxylic acid

C8H15NO2 — CID 16769695

IUPAC1-propylpyrrolidine-2-carboxylic acid
SMILESCCCN1CCCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyCYXLHZVPLXEUPP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds3

About 1-propylpyrrolidine-2-carboxylic acid

1-propylpyrrolidine-2-carboxylic acid (PubChem CID 16769695) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-propylpyrrolidine-2-carboxylic acid
PubChem CID16769695
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-propylpyrrolidine-2-carboxylic acid
SMILESCCCN1CCCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyCYXLHZVPLXEUPP-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-proline
CID 66141
(-)-Stachydrine
CID 115244
N-Methyl-L-proline
CID 643474
N-acetyl-D-proline
CID 719436
Betonicine
CID 164642
N,N-Dimethylproline
CID 448301
1-formyl-L-proline
CID 96434
1-Methylpyrrolidine-2-carboxylic acid
CID 557
4-hydroxy-N-methylproline
CID 11768700
D-proline betaine
CID 7016562
DL-Acetylproline
CID 322640
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 9860390

Frequently Asked Questions

What is the IUPAC name of 1-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-propylpyrrolidine-2-carboxylic acid (CID 16769695) is 1-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-propylpyrrolidine-2-carboxylic acid is CCCN1CCCC1C(=O)O.
What is the InChIKey of 1-propylpyrrolidine-2-carboxylic acid?
The InChIKey is CYXLHZVPLXEUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-propylpyrrolidine-2-carboxylic acid?
1-propylpyrrolidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16769695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).