1-acetylpyrrolidine-3-carboxylic acid

C7H11NO3 — CID 22117928

IUPAC1-acetylpyrrolidine-3-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyFEQQMBBBBFVNMN-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.06
Rot. Bonds1

About 1-acetylpyrrolidine-3-carboxylic acid

1-acetylpyrrolidine-3-carboxylic acid (PubChem CID 22117928) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-acetylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-acetylpyrrolidine-3-carboxylic acid
PubChem CID22117928
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-acetylpyrrolidine-3-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyFEQQMBBBBFVNMN-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-acetylpyrrolidine-3-carboxylic acid (CID 22117928) is 1-acetylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-acetylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-acetylpyrrolidine-3-carboxylic acid is CC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-acetylpyrrolidine-3-carboxylic acid?
The InChIKey is FEQQMBBBBFVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11).
What are the key properties of 1-acetylpyrrolidine-3-carboxylic acid?
1-acetylpyrrolidine-3-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22117928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).