1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid

C9H13NO5 — CID 4389

IUPAC1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyNEBOPDYAXPDYHQ-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.07
Rot. Bonds4

About 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid

1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 4389) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID4389
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)
InChIKeyNEBOPDYAXPDYHQ-UHFFFAOYSA-N
XLogP-0.07
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid (CID 4389) is 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)CCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NEBOPDYAXPDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid?
1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.20 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carboxypropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).