2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid

C13H20N2O3 — CID 82893491

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1cc(OC)cc(C)n1
InChIInChI=1S/C13H20N2O3/c1-4-5-15(9-13(16)17)8-11-7-12(18-3)6-10(2)14-11/h6-7H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyFUQUGSWEUPHSCS-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.70
Rot. Bonds7

About 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid (PubChem CID 82893491) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
PubChem CID82893491
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1cc(OC)cc(C)n1
InChIInChI=1S/C13H20N2O3/c1-4-5-15(9-13(16)17)8-11-7-12(18-3)6-10(2)14-11/h6-7H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyFUQUGSWEUPHSCS-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 82892804
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
CID 82892879
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 82892878
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
5-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204889
N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 82886139
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 82893709
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
CID 82893724
4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 82887262
N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine
CID 82895707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid (CID 82893491) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1cc(OC)cc(C)n1.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid?
The InChIKey is FUQUGSWEUPHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-15(9-13(16)17)8-11-7-12(18-3)6-10(2)14-11/h6-7H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid?
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid is sourced from PubChem (CID 82893491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).