3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid

C15H18FN3O4 — CID 122008222

IUPAC3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCN(c2ccccc2F)C1=O
InChIInChI=1S/C15H18FN3O4/c16-10-4-1-2-6-12(10)19-9-3-5-11(14(19)22)18-15(23)17-8-7-13(20)21/h1-2,4,6,11H,3,5,7-9H2,(H,20,21)(H2,17,18,23)
InChIKeySJGAYQMCPDSZKL-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.10
Rot. Bonds5

About 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid

3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid (PubChem CID 122008222) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
PubChem CID122008222
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Name3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC1CCCN(c2ccccc2F)C1=O
InChIInChI=1S/C15H18FN3O4/c16-10-4-1-2-6-12(10)19-9-3-5-11(14(19)22)18-15(23)17-8-7-13(20)21/h1-2,4,6,11H,3,5,7-9H2,(H,20,21)(H2,17,18,23)
InChIKeySJGAYQMCPDSZKL-UHFFFAOYSA-N
XLogP1.10
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic 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 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid (CID 122008222) is 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)NC1CCCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid?
The InChIKey is SJGAYQMCPDSZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c16-10-4-1-2-6-12(10)19-9-3-5-11(14(19)22)18-15(23)17-8-7-13(20)21/h1-2,4,6,11H,3,5,7-9H2,(H,20,21)(H2,17,18,23).
What are the key properties of 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid?
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid has a molecular weight of 323.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122008222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).