2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid

C15H20N2O3 — CID 65345932

IUPAC2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CCCCN1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-11-5-2-3-8-17(11)15(20)16-13-7-4-6-12(9-13)10-14(18)19/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyGBVYAXUESAZBSK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.72
Rot. Bonds3

About 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid

2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 65345932) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID65345932
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CCCCN1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-11-5-2-3-8-17(11)15(20)16-13-7-4-6-12(9-13)10-14(18)19/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyGBVYAXUESAZBSK-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
2-[3-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]phenyl]acetic acid
CID 102783225
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid (CID 65345932) is 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid is CC1CCCCN1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is GBVYAXUESAZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-2-3-8-17(11)15(20)16-13-7-4-6-12(9-13)10-14(18)19/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65345932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).