2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid

C14H20N2O3 — CID 119192178

IUPAC2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1ccc(C)nc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-7-14(3,13(18)19)16-12(17)8-11-6-5-10(2)15-9-11/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJOWNJFCUDOOGOR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds6

About 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid

2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid (PubChem CID 119192178) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
PubChem CID119192178
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1ccc(C)nc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-7-14(3,13(18)19)16-12(17)8-11-6-5-10(2)15-9-11/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJOWNJFCUDOOGOR-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119571100
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]-2-methylpentanoic acid
CID 119192247
N-(4-ethylphenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47259711
2-[3-(3,5-dimethylphenyl)propanoylamino]-2-methylpentanoic acid
CID 120517074
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylpentanoic acid
CID 43619035
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid (CID 119192178) is 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)Cc1ccc(C)nc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
The InChIKey is JOWNJFCUDOOGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-7-14(3,13(18)19)16-12(17)8-11-6-5-10(2)15-9-11/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119192178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).