2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid

C13H19N3O3 — CID 55123424

IUPAC2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cccc(CNC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-9-6-5-7-10(15-9)8-14-12(19)16(4)13(2,3)11(17)18/h5-7H,8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyCQMDXQGBJRKLLB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds4

About 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid

2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid (PubChem CID 55123424) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid
PubChem CID55123424
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cccc(CNC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-9-6-5-7-10(15-9)8-14-12(19)16(4)13(2,3)11(17)18/h5-7H,8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyCQMDXQGBJRKLLB-UHFFFAOYSA-N
XLogP1.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
2-[(3-bromophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62820601
2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
CID 62323721
2-[(4-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62820214
2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid
CID 82820939
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
CID 86824305
2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid (CID 55123424) is 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid is Cc1cccc(CNC(=O)N(C)C(C)(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is CQMDXQGBJRKLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-5-7-10(15-9)8-14-12(19)16(4)13(2,3)11(17)18/h5-7H,8H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid?
2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.39, 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-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 55123424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).