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

C12H17N3O3 — CID 55105026

IUPAC2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(CNC(=O)N(C)Cc1ccccn1)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-9(11(16)17)7-14-12(18)15(2)8-10-5-3-4-6-13-10/h3-6,9H,7-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDFAQIGHPVHVLFP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.94
Rot. Bonds5

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

2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 55105026) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID55105026
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(CNC(=O)N(C)Cc1ccccn1)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-9(11(16)17)7-14-12(18)15(2)8-10-5-3-4-6-13-10/h3-6,9H,7-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyDFAQIGHPVHVLFP-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
CID 86841958
2-ethyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 115430878
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 62671339
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid (CID 55105026) is 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid is CC(CNC(=O)N(C)Cc1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is DFAQIGHPVHVLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(11(16)17)7-14-12(18)15(2)8-10-5-3-4-6-13-10/h3-6,9H,7-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55105026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).