2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid

C11H16N2O2 — CID 104822494

IUPAC2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1ccc(C)nc1
InChIInChI=1S/C11H16N2O2/c1-3-6-12-10(11(14)15)9-5-4-8(2)13-7-9/h4-5,7,10,12H,3,6H2,1-2H3,(H,14,15)
InChIKeyNXIBIHBTYOIHMA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.52
Rot. Bonds5

About 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid

2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid (PubChem CID 104822494) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
PubChem CID104822494
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1ccc(C)nc1
InChIInChI=1S/C11H16N2O2/c1-3-6-12-10(11(14)15)9-5-4-8(2)13-7-9/h4-5,7,10,12H,3,6H2,1-2H3,(H,14,15)
InChIKeyNXIBIHBTYOIHMA-UHFFFAOYSA-N
XLogP1.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822618
ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502
2-(4-bromo-3-methylphenyl)-2-(propylamino)acetic acid
CID 66480181
2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115854567
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
2,2-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115855059
N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63155815
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid (CID 104822494) is 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid is CCCNC(C(=O)O)c1ccc(C)nc1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid?
The InChIKey is NXIBIHBTYOIHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-6-12-10(11(14)15)9-5-4-8(2)13-7-9/h4-5,7,10,12H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid?
2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid is sourced from PubChem (CID 104822494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).