2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid

C18H22N2O2 — CID 95225327

IUPAC2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
SMILESCc1cccnc1C[C@@H](C)N(C)Cc1ccccc1C(=O)O
InChIInChI=1S/C18H22N2O2/c1-13-7-6-10-19-17(13)11-14(2)20(3)12-15-8-4-5-9-16(15)18(21)22/h4-10,14H,11-12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyVXOUXNLIRRJHCX-CQSZACIVSA-N
MW298.39 g/mol
LogP3.15
Rot. Bonds6

About 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid

2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid (PubChem CID 95225327) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
PubChem CID95225327
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
SMILESCc1cccnc1C[C@@H](C)N(C)Cc1ccccc1C(=O)O
InChIInChI=1S/C18H22N2O2/c1-13-7-6-10-19-17(13)11-14(2)20(3)12-15-8-4-5-9-16(15)18(21)22/h4-10,14H,11-12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyVXOUXNLIRRJHCX-CQSZACIVSA-N
XLogP3.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid with MolForge

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Related Compounds

4-fluoro-2-[[methyl-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]phenol
CID 95210782
N-methyl-1-(3-methyl-2-pyridinyl)-N-(quinolin-4-ylmethyl)propan-2-amine
CID 50976505
2-[[methyl(pentan-2-yl)amino]methyl]benzoic acid
CID 43572310
N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
CID 77081890
3-[[2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetyl]amino]benzoic acid
CID 124848013
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 146135062
N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
CID 124850332
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 136574744
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid?
The IUPAC name of 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid (CID 95225327) is 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid?
The canonical SMILES for 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid is Cc1cccnc1C[C@@H](C)N(C)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid?
The InChIKey is VXOUXNLIRRJHCX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-6-10-19-17(13)11-14(2)20(3)12-15-8-4-5-9-16(15)18(21)22/h4-10,14H,11-12H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid?
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid has a molecular weight of 298.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid is sourced from PubChem (CID 95225327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).