2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid

C13H18N2O2 — CID 83841546

IUPAC2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid
SMILESCc1cc(N(C2CC2)C(C)(C)C(=O)O)ccn1
InChIInChI=1S/C13H18N2O2/c1-9-8-11(6-7-14-9)15(10-4-5-10)13(2,3)12(16)17/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyFUSAZXAPTQQNIB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds4

About 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid

2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 83841546) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID83841546
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid
SMILESCc1cc(N(C2CC2)C(C)(C)C(=O)O)ccn1
InChIInChI=1S/C13H18N2O2/c1-9-8-11(6-7-14-9)15(10-4-5-10)13(2,3)12(16)17/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyFUSAZXAPTQQNIB-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid (CID 83841546) is 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid is Cc1cc(N(C2CC2)C(C)(C)C(=O)O)ccn1.
What is the InChIKey of 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is FUSAZXAPTQQNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-11(6-7-14-9)15(10-4-5-10)13(2,3)12(16)17/h6-8,10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid?
2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 83841546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).