4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid

C14H20N2O3 — CID 119204226

IUPAC4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
SMILESCc1ccc(CC(=O)NC(C)(C)CCC(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-4-5-11(9-15-10)8-12(17)16-14(2,3)7-6-13(18)19/h4-5,9H,6-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRZMYXVTXCAFCJR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds6

About 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid

4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid (PubChem CID 119204226) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
PubChem CID119204226
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
SMILESCc1ccc(CC(=O)NC(C)(C)CCC(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-4-5-11(9-15-10)8-12(17)16-14(2,3)7-6-13(18)19/h4-5,9H,6-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRZMYXVTXCAFCJR-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid (CID 119204226) is 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid is Cc1ccc(CC(=O)NC(C)(C)CCC(=O)O)cn1.
What is the InChIKey of 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
The InChIKey is RZMYXVTXCAFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-5-11(9-15-10)8-12(17)16-14(2,3)7-6-13(18)19/h4-5,9H,6-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid?
4-methyl-4-[[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 4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119204226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).