2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid

C19H26N2O5 — CID 120518656

IUPAC2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCN(C(=O)C1CCCN(C(=O)COc2ccccc2)C1)C(C)(C)C(=O)O
InChIInChI=1S/C19H26N2O5/c1-19(2,18(24)25)20(3)17(23)14-8-7-11-21(12-14)16(22)13-26-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H,24,25)
InChIKeyZLYAFNXDVQWROB-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.63
Rot. Bonds6

About 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid

2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 120518656) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID120518656
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCN(C(=O)C1CCCN(C(=O)COc2ccccc2)C1)C(C)(C)C(=O)O
InChIInChI=1S/C19H26N2O5/c1-19(2,18(24)25)20(3)17(23)14-8-7-11-21(12-14)16(22)13-26-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H,24,25)
InChIKeyZLYAFNXDVQWROB-UHFFFAOYSA-N
XLogP1.63
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967191
1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
CID 119605857
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120528073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid (CID 120518656) is 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid is CN(C(=O)C1CCCN(C(=O)COc2ccccc2)C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is ZLYAFNXDVQWROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2,18(24)25)20(3)17(23)14-8-7-11-21(12-14)16(22)13-26-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H,24,25).
What are the key properties of 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid?
2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 362.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120518656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).