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

C13H21N3O2 — CID 115256328

IUPAC2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
SMILESCNC(CNCC(C)(C)c1cccnc1)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-13(2,10-5-4-6-15-7-10)9-16-8-11(14-3)12(17)18/h4-7,11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyUXZAPRPTQOWYPM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.62
Rot. Bonds7

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

2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid (PubChem CID 115256328) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
PubChem CID115256328
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
SMILESCNC(CNCC(C)(C)c1cccnc1)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-13(2,10-5-4-6-15-7-10)9-16-8-11(14-3)12(17)18/h4-7,11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyUXZAPRPTQOWYPM-UHFFFAOYSA-N
XLogP0.62
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315
3-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-(methylamino)propanoic acid
CID 115256325
2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115165229
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid (CID 115256328) is 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid is CNC(CNCC(C)(C)c1cccnc1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
The InChIKey is UXZAPRPTQOWYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,10-5-4-6-15-7-10)9-16-8-11(14-3)12(17)18/h4-7,11,14,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid?
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid is sourced from PubChem (CID 115256328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).