3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid

C15H18N2O4 — CID 107272548

IUPAC3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C15H18N2O4/c18-13-7-5-11(9-16-13)15(21)17-12-4-2-1-3-10(12)6-8-14(19)20/h1-4,11H,5-9H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyBXOIYICERQHXBS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.17
Rot. Bonds5

About 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid

3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 107272548) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID107272548
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C15H18N2O4/c18-13-7-5-11(9-16-13)15(21)17-12-4-2-1-3-10(12)6-8-14(19)20/h1-4,11H,5-9H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyBXOIYICERQHXBS-UHFFFAOYSA-N
XLogP1.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
3-[2-(oxane-4-carbonylamino)phenyl]propanoic acid
CID 107272409
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729117
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
N-(9H-fluoren-2-yl)-6-oxopiperidine-3-carboxamide
CID 71941186
(3S)-N-(9H-fluoren-2-yl)-6-oxopiperidine-3-carboxamide
CID 97016732
3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
CID 107272559
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid (CID 107272548) is 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is BXOIYICERQHXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13-7-5-11(9-16-13)15(21)17-12-4-2-1-3-10(12)6-8-14(19)20/h1-4,11H,5-9H2,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid?
3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 107272548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).