2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid

C15H20N2O3 — CID 107067870

IUPAC2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
SMILESCC1CCCNC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-10-6-5-9-16-12(10)14(18)17-13(15(19)20)11-7-3-2-4-8-11/h2-4,7-8,10,12-13,16H,5-6,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNGKRAOPLKNTDKQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds4

About 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid

2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 107067870) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID107067870
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
SMILESCC1CCCNC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-10-6-5-9-16-12(10)14(18)17-13(15(19)20)11-7-3-2-4-8-11/h2-4,7-8,10,12-13,16H,5-6,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNGKRAOPLKNTDKQ-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylcyclopentane-1-carboxamide
CID 107178672
3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide
CID 107067830
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
CID 64822644

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid (CID 107067870) is 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid is CC1CCCNC1C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is NGKRAOPLKNTDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-5-9-16-12(10)14(18)17-13(15(19)20)11-7-3-2-4-8-11/h2-4,7-8,10,12-13,16H,5-6,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid?
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 107067870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).