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

C12H17N3O3 — CID 62639385

IUPAC2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCCc1ccncc1
InChIInChI=1S/C12H17N3O3/c1-9(11(16)17)15(2)12(18)14-8-5-10-3-6-13-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZVDDLJJCCDASCB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds5

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

2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid (PubChem CID 62639385) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
PubChem CID62639385
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCCc1ccncc1
InChIInChI=1S/C12H17N3O3/c1-9(11(16)17)15(2)12(18)14-8-5-10-3-6-13-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZVDDLJJCCDASCB-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62821295
2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
CID 61203871
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
CID 65289085
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 63240895
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
CID 62988748
2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid (CID 62639385) is 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)NCCc1ccncc1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
The InChIKey is ZVDDLJJCCDASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(11(16)17)15(2)12(18)14-8-5-10-3-6-13-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62639385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).