2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid

C15H16N2O2 — CID 60991517

IUPAC2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
SMILESCc1ccccc1NC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11-5-3-4-6-13(11)17-15(2,14(18)19)12-7-9-16-10-8-12/h3-10,17H,1-2H3,(H,18,19)
InChIKeyAVPIFMIFGZTIRI-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid

2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid (PubChem CID 60991517) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
PubChem CID60991517
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
SMILESCc1ccccc1NC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11-5-3-4-6-13(11)17-15(2,14(18)19)12-7-9-16-10-8-12/h3-10,17H,1-2H3,(H,18,19)
InChIKeyAVPIFMIFGZTIRI-UHFFFAOYSA-N
XLogP2.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996438
2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
CID 60993618
4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
CID 60992455
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
CID 114990339
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid (CID 60991517) is 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid is Cc1ccccc1NC(C)(C(=O)O)c1ccncc1.
What is the InChIKey of 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid?
The InChIKey is AVPIFMIFGZTIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-3-4-6-13(11)17-15(2,14(18)19)12-7-9-16-10-8-12/h3-10,17H,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid?
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 60991517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).