1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid

C11H17NO5 — CID 21319418

IUPAC1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CCC(=O)N1CCCC1C(=O)O)C(=O)O
InChIInChI=1S/C11H17NO5/c1-7(10(14)15)4-5-9(13)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyHFEMSXUDDXCQCC-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.56
Rot. Bonds5

About 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid

1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 21319418) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID21319418
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CCC(=O)N1CCCC1C(=O)O)C(=O)O
InChIInChI=1S/C11H17NO5/c1-7(10(14)15)4-5-9(13)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyHFEMSXUDDXCQCC-UHFFFAOYSA-N
XLogP0.56
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid (CID 21319418) is 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid is CC(CCC(=O)N1CCCC1C(=O)O)C(=O)O.
What is the InChIKey of 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HFEMSXUDDXCQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-7(10(14)15)4-5-9(13)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid?
1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxypentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 21319418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).