2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid

C11H16N2O2 — CID 83834123

IUPAC2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid
SMILESCC(C)c1cc(N(C)CC(=O)O)ccn1
InChIInChI=1S/C11H16N2O2/c1-8(2)10-6-9(4-5-12-10)13(3)7-11(14)15/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyYOHFQIZVIPGALV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds4

About 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid

2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid (PubChem CID 83834123) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid
PubChem CID83834123
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid
SMILESCC(C)c1cc(N(C)CC(=O)O)ccn1
InChIInChI=1S/C11H16N2O2/c1-8(2)10-6-9(4-5-12-10)13(3)7-11(14)15/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyYOHFQIZVIPGALV-UHFFFAOYSA-N
XLogP1.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid (CID 83834123) is 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid is CC(C)c1cc(N(C)CC(=O)O)ccn1.
What is the InChIKey of 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid?
The InChIKey is YOHFQIZVIPGALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)10-6-9(4-5-12-10)13(3)7-11(14)15/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid?
2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid is sourced from PubChem (CID 83834123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).