1-propanoylpyrrolidine-2-carboxylic acid

C8H13NO3 — CID 3614637

IUPAC1-propanoylpyrrolidine-2-carboxylic acid
SMILESCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO3/c1-2-7(10)9-5-3-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyDAOGFHQPAHSMQS-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds2

About 1-propanoylpyrrolidine-2-carboxylic acid

1-propanoylpyrrolidine-2-carboxylic acid (PubChem CID 3614637) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-propanoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-propanoylpyrrolidine-2-carboxylic acid
PubChem CID3614637
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-propanoylpyrrolidine-2-carboxylic acid
SMILESCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO3/c1-2-7(10)9-5-3-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyDAOGFHQPAHSMQS-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propanoylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-propanoylpyrrolidine-2-carboxylic acid (CID 3614637) is 1-propanoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-propanoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-propanoylpyrrolidine-2-carboxylic acid is CCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-propanoylpyrrolidine-2-carboxylic acid?
The InChIKey is DAOGFHQPAHSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-7(10)9-5-3-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-propanoylpyrrolidine-2-carboxylic acid?
1-propanoylpyrrolidine-2-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3614637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).