2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid

C17H20N2O2 — CID 62270659

IUPAC2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
SMILESCN(Cc1ccccn1)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(16(20)21,14-8-4-3-5-9-14)13-19(2)12-15-10-6-7-11-18-15/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyNBHDGZRANFOOMK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.56
Rot. Bonds6

About 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid

2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid (PubChem CID 62270659) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
PubChem CID62270659
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
SMILESCN(Cc1ccccn1)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(16(20)21,14-8-4-3-5-9-14)13-19(2)12-15-10-6-7-11-18-15/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyNBHDGZRANFOOMK-UHFFFAOYSA-N
XLogP2.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 65003475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid (CID 62270659) is 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid is CN(Cc1ccccn1)CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid?
The InChIKey is NBHDGZRANFOOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(16(20)21,14-8-4-3-5-9-14)13-19(2)12-15-10-6-7-11-18-15/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid?
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62270659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).