2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid

C13H19N3O3 — CID 82330085

IUPAC2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCNC(=O)CN(Cc1ccccn1)CC(C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-10(13(18)19)7-16(9-12(17)14-2)8-11-5-3-4-6-15-11/h3-6,10H,7-9H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyHVGHMWXVWOESEQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.35
Rot. Bonds7

About 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid

2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid (PubChem CID 82330085) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
PubChem CID82330085
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCNC(=O)CN(Cc1ccccn1)CC(C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-10(13(18)19)7-16(9-12(17)14-2)8-11-5-3-4-6-15-11/h3-6,10H,7-9H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyHVGHMWXVWOESEQ-UHFFFAOYSA-N
XLogP0.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327
3-[(4-methoxyphenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 82330080
methyl (2R)-2-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]propanoyl]amino]propanoate
CID 118001065
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 55123242
2-[bis[2-[carboxymethyl-[2-[2-[carboxymethyl(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101405847
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid (CID 82330085) is 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid is CNC(=O)CN(Cc1ccccn1)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
The InChIKey is HVGHMWXVWOESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(13(18)19)7-16(9-12(17)14-2)8-11-5-3-4-6-15-11/h3-6,10H,7-9H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82330085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).