3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid

C16H20N2O4 — CID 120613759

IUPAC3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C16H20N2O4/c19-14(11-18-9-2-1-6-15(18)20)17-13-5-3-4-12(10-13)7-8-16(21)22/h3-5,10H,1-2,6-9,11H2,(H,17,19)(H,21,22)
InChIKeyIQCSWRUNQRXLOO-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.65
Rot. Bonds6

About 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid

3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid (PubChem CID 120613759) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
PubChem CID120613759
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C16H20N2O4/c19-14(11-18-9-2-1-6-15(18)20)17-13-5-3-4-12(10-13)7-8-16(21)22/h3-5,10H,1-2,6-9,11H2,(H,17,19)(H,21,22)
InChIKeyIQCSWRUNQRXLOO-UHFFFAOYSA-N
XLogP1.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]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

Related Compounds

3-[[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241089
methyl 2-[3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]acetate
CID 99588705
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
CID 119224754
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360462
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
3-[3-[[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613834

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid (CID 120613759) is 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)CN2CCCCC2=O)c1.
What is the InChIKey of 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid?
The InChIKey is IQCSWRUNQRXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(11-18-9-2-1-6-15(18)20)17-13-5-3-4-12(10-13)7-8-16(21)22/h3-5,10H,1-2,6-9,11H2,(H,17,19)(H,21,22).
What are the key properties of 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid?
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120613759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).