2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid

C12H17N3O3 — CID 61266937

IUPAC2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1ccncc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-12(2,10(16)17)14-11(18)15(3)8-9-4-6-13-7-5-9/h4-7H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyMGZZAAPYXBWNGZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid

2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 61266937) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID61266937
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1ccncc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-12(2,10(16)17)14-11(18)15(3)8-9-4-6-13-7-5-9/h4-7H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyMGZZAAPYXBWNGZ-UHFFFAOYSA-N
XLogP1.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65300331
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
2,2-diethyl-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 43564268
2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide
CID 47028268
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid (CID 61266937) is 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid is CN(Cc1ccncc1)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is MGZZAAPYXBWNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,10(16)17)14-11(18)15(3)8-9-4-6-13-7-5-9/h4-7H,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid?
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61266937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).