2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid

C13H20N2O3 — CID 114938741

IUPAC2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)CC(C)C)cn1
InChIInChI=1S/C13H20N2O3/c1-10(2)7-15(9-13(16)17)8-11-4-5-12(18-3)14-6-11/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyFKBQIVGDEKNBIB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.63
Rot. Bonds7

About 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid

2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 114938741) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID114938741
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)CC(C)C)cn1
InChIInChI=1S/C13H20N2O3/c1-10(2)7-15(9-13(16)17)8-11-4-5-12(18-3)14-6-11/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyFKBQIVGDEKNBIB-UHFFFAOYSA-N
XLogP1.63
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65063964
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065383
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065906
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 62994376
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
CID 167971767
2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 55148594
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid (CID 114938741) is 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid is COc1ccc(CN(CC(=O)O)CC(C)C)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is FKBQIVGDEKNBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)7-15(9-13(16)17)8-11-4-5-12(18-3)14-6-11/h4-6,10H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(6-methoxy-3-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 1.63, 7 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-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 114938741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).