2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid

C17H18N2O4 — CID 103664078

IUPAC2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
SMILESCN(C(=O)OCc1ccccc1)C(C)(C(=O)O)c1ccccn1
InChIInChI=1S/C17H18N2O4/c1-17(15(20)21,14-10-6-7-11-18-14)19(2)16(22)23-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyRKPYOYDVKKIOHM-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.65
Rot. Bonds5

About 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid

2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid (PubChem CID 103664078) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
PubChem CID103664078
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
SMILESCN(C(=O)OCc1ccccc1)C(C)(C(=O)O)c1ccccn1
InChIInChI=1S/C17H18N2O4/c1-17(15(20)21,14-10-6-7-11-18-14)19(2)16(22)23-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyRKPYOYDVKKIOHM-UHFFFAOYSA-N
XLogP2.65
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
CID 91437658
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid
CID 114991937
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate
CID 54036342
benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 176618004
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
(2R)-2,3-ditert-butyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 22866084
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid (CID 103664078) is 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid is CN(C(=O)OCc1ccccc1)C(C)(C(=O)O)c1ccccn1.
What is the InChIKey of 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid?
The InChIKey is RKPYOYDVKKIOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-17(15(20)21,14-10-6-7-11-18-14)19(2)16(22)23-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid?
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 103664078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).