3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid

C17H18N2O3 — CID 90094238

IUPAC3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NC(CC(=O)O)c2ccccc2C)ccn1
InChIInChI=1S/C17H18N2O3/c1-11-5-3-4-6-14(11)15(10-16(20)21)19-17(22)13-7-8-18-12(2)9-13/h3-9,15H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYZOFUXPFWIVXSD-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.64
Rot. Bonds5

About 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid

3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid (PubChem CID 90094238) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
PubChem CID90094238
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NC(CC(=O)O)c2ccccc2C)ccn1
InChIInChI=1S/C17H18N2O3/c1-11-5-3-4-6-14(11)15(10-16(20)21)19-17(22)13-7-8-18-12(2)9-13/h3-9,15H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYZOFUXPFWIVXSD-UHFFFAOYSA-N
XLogP2.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
CID 90092943
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
(3S)-3-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90094384
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
CID 67015695
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
(3R)-3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851599
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 120532079
3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782573

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid (CID 90094238) is 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NC(CC(=O)O)c2ccccc2C)ccn1.
What is the InChIKey of 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is YZOFUXPFWIVXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-5-3-4-6-14(11)15(10-16(20)21)19-17(22)13-7-8-18-12(2)9-13/h3-9,15H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid?
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 90094238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).