2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid

C12H17N3O3 — CID 122089410

IUPAC2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCc1ccc(NC(=O)N(C)CC(C)C(=O)O)nc1
InChIInChI=1S/C12H17N3O3/c1-8-4-5-10(13-6-8)14-12(18)15(3)7-9(2)11(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H,13,14,18)
InChIKeyFNVQJSRFEHHQLH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid (PubChem CID 122089410) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
PubChem CID122089410
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCc1ccc(NC(=O)N(C)CC(C)C(=O)O)nc1
InChIInChI=1S/C12H17N3O3/c1-8-4-5-10(13-6-8)14-12(18)15(3)7-9(2)11(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H,13,14,18)
InChIKeyFNVQJSRFEHHQLH-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091610
3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086035
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122091322
3-[(2-tert-butylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090426
2-methyl-3-[methyl-[2-(4-methylphenoxy)propylcarbamoyl]amino]propanoic acid
CID 122004108
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
3-[[6-(difluoromethoxy)-3-pyridinyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122093034
3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
CID 122009883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid (CID 122089410) is 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid is Cc1ccc(NC(=O)N(C)CC(C)C(=O)O)nc1.
What is the InChIKey of 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid?
The InChIKey is FNVQJSRFEHHQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-4-5-10(13-6-8)14-12(18)15(3)7-9(2)11(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122089410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).