4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid

C17H20N2O2 — CID 65067919

IUPAC4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-19(13-7-11-16(20)21)17(14-8-3-2-4-9-14)15-10-5-6-12-18-15/h2-6,8-10,12,17H,7,11,13H2,1H3,(H,20,21)
InChIKeyCAHFKJYMSBWMFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.97
Rot. Bonds7

About 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid

4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid (PubChem CID 65067919) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
PubChem CID65067919
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-19(13-7-11-16(20)21)17(14-8-3-2-4-9-14)15-10-5-6-12-18-15/h2-6,8-10,12,17H,7,11,13H2,1H3,(H,20,21)
InChIKeyCAHFKJYMSBWMFW-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
N-methyl-1-phenyl-1-pyridin-2-yl-N-(pyridin-4-ylmethyl)methanamine
CID 84591336
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
4-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]-4-oxobut-2-enoic acid
CID 133052756
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 124888794
N-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 94822267
N-methyl-N-[methyl-[(S)-phenyl(pyridin-2-yl)methyl]sulfamoyl]propan-2-amine
CID 97194118
2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid
CID 177453649
4-[methyl(pyrimidin-2-ylmethyl)amino]butanoic acid
CID 62698830
N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 60530727

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid (CID 65067919) is 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid is CN(CCCC(=O)O)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid?
The InChIKey is CAHFKJYMSBWMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(13-7-11-16(20)21)17(14-8-3-2-4-9-14)15-10-5-6-12-18-15/h2-6,8-10,12,17H,7,11,13H2,1H3,(H,20,21).
What are the key properties of 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid?
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 65067919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).