2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid

C14H20N2O3 — CID 82321055

IUPAC2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccnc(N(CC(C)C(=O)O)C(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-9(2)13(17)16(8-11(4)14(18)19)12-7-10(3)5-6-15-12/h5-7,9,11H,8H2,1-4H3,(H,18,19)
InChIKeyWXDCDFLRJCHUJN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.10
Rot. Bonds5

About 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid

2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid (PubChem CID 82321055) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
PubChem CID82321055
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccnc(N(CC(C)C(=O)O)C(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-9(2)13(17)16(8-11(4)14(18)19)12-7-10(3)5-6-15-12/h5-7,9,11H,8H2,1-4H3,(H,18,19)
InChIKeyWXDCDFLRJCHUJN-UHFFFAOYSA-N
XLogP2.10
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(4-methyl-2-pyridinyl)-methylsulfonylamino]propanoic acid
CID 82321956
3-[2-carboxyethyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319483
2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid
CID 82321471
3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321051
3-[3,4-dimethyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321017
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319525
3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82321156
2-methyl-3-[N-(2-methylpropanoyl)-4-propan-2-ylanilino]propanoic acid
CID 82321032
3-[2,4-difluoro-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321057
3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988
2-methyl-3-[2-methylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid
CID 82321065
N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine
CID 80670331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid (CID 82321055) is 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid is Cc1ccnc(N(CC(C)C(=O)O)C(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
The InChIKey is WXDCDFLRJCHUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)13(17)16(8-11(4)14(18)19)12-7-10(3)5-6-15-12/h5-7,9,11H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 82321055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).