2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid

C13H20N2O2 — CID 82328653

IUPAC2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCC(CN(Cc1ccccn1)C(C)C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-10(2)15(8-11(3)13(16)17)9-12-6-4-5-7-14-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyXQNGHEXVALXPTF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds6

About 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid

2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid (PubChem CID 82328653) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
PubChem CID82328653
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCC(CN(Cc1ccccn1)C(C)C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-10(2)15(8-11(3)13(16)17)9-12-6-4-5-7-14-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyXQNGHEXVALXPTF-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82330085
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 55123242
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 83049481
2-[bis[2-[(1-carboxy-2,2-dimethylpropyl)-(pyridin-2-ylmethyl)amino]ethyl]amino]-3,3-dimethylbutanoic acid
CID 67876128
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid (CID 82328653) is 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid is CC(CN(Cc1ccccn1)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid?
The InChIKey is XQNGHEXVALXPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15(8-11(3)13(16)17)9-12-6-4-5-7-14-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid?
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82328653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).