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

C17H20N2O2 — CID 63069614

IUPAC3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid
SMILESCN(CCc1ccccn1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-19(12-10-15-9-5-6-11-18-15)16(13-17(20)21)14-7-3-2-4-8-14/h2-9,11,16H,10,12-13H2,1H3,(H,20,21)
InChIKeyKSWCDYLCYWCVNC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds7

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

3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid (PubChem CID 63069614) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid
PubChem CID63069614
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid
SMILESCN(CCc1ccccn1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-19(12-10-15-9-5-6-11-18-15)16(13-17(20)21)14-7-3-2-4-8-14/h2-9,11,16H,10,12-13H2,1H3,(H,20,21)
InChIKeyKSWCDYLCYWCVNC-UHFFFAOYSA-N
XLogP2.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
3-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropanoic acid
CID 79859062
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-(2-fluorophenyl)-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45210792
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 97194513
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid (CID 63069614) is 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid is CN(CCc1ccccn1)C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid?
The InChIKey is KSWCDYLCYWCVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(12-10-15-9-5-6-11-18-15)16(13-17(20)21)14-7-3-2-4-8-14/h2-9,11,16H,10,12-13H2,1H3,(H,20,21).
What are the key properties of 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid?
3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 63069614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).