5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid

C10H17NO3 — CID 4778108

IUPAC5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid
SMILESCCC(CC)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(4-2)11-6-7(10(13)14)5-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySAABAXKBEHPTMY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds4

About 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid

5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 4778108) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid
PubChem CID4778108
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid
SMILESCCC(CC)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(4-2)11-6-7(10(13)14)5-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySAABAXKBEHPTMY-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid (CID 4778108) is 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid is CCC(CC)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is SAABAXKBEHPTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8(4-2)11-6-7(10(13)14)5-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentan-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4778108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).