2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

C19H22N2O4 — CID 120700865

IUPAC2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccnc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-15-10-7-11-20-16(15)17(22)21-12-19(3,18(23)24)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyDOYHEGYEBUAKBW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.64
Rot. Bonds7

About 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120700865) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID120700865
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccnc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-15-10-7-11-20-16(15)17(22)21-12-19(3,18(23)24)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyDOYHEGYEBUAKBW-UHFFFAOYSA-N
XLogP2.64
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 119384241
2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120525138
3-[methyl-(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 119362663
2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 154867048
2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120533126
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120701441
N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119548878
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (CID 120700865) is 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is CC(C)Oc1cccnc1C(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is DOYHEGYEBUAKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)25-15-10-7-11-20-16(15)17(22)21-12-19(3,18(23)24)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120700865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).