2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid

C17H20N2O3 — CID 167971767

IUPAC2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
SMILESCOc1ccc(CN(C)C(C(=O)O)c2ccccc2C)cn1
InChIInChI=1S/C17H20N2O3/c1-12-6-4-5-7-14(12)16(17(20)21)19(2)11-13-8-9-15(22-3)18-10-13/h4-10,16H,11H2,1-3H3,(H,20,21)
InChIKeyXBKORINCXWYCNR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.66
Rot. Bonds6

About 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid

2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid (PubChem CID 167971767) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
PubChem CID167971767
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
SMILESCOc1ccc(CN(C)C(C(=O)O)c2ccccc2C)cn1
InChIInChI=1S/C17H20N2O3/c1-12-6-4-5-7-14(12)16(17(20)21)19(2)11-13-8-9-15(22-3)18-10-13/h4-10,16H,11H2,1-3H3,(H,20,21)
InChIKeyXBKORINCXWYCNR-UHFFFAOYSA-N
XLogP2.66
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid
CID 136550232
2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 104985033
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-2-(2-methoxy-5-methylphenyl)acetic acid
CID 47000517
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 97211103
2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 114938741
2-(dimethylamino)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(2-methylphenyl)acetamide
CID 72917770
(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine
CID 99932010
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
2-[ethyl(phenylmethoxycarbonyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 104985036
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid (CID 167971767) is 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid is COc1ccc(CN(C)C(C(=O)O)c2ccccc2C)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid?
The InChIKey is XBKORINCXWYCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-6-4-5-7-14(12)16(17(20)21)19(2)11-13-8-9-15(22-3)18-10-13/h4-10,16H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid?
2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid has a molecular weight of 300.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 167971767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).