2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid

C18H24N2O2 — CID 167929353

IUPAC2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid
SMILESCc1ccc(CNC(C)(C)C(C)(C)C(=O)O)c2ncccc12
InChIInChI=1S/C18H24N2O2/c1-12-8-9-13(15-14(12)7-6-10-19-15)11-20-18(4,5)17(2,3)16(21)22/h6-10,20H,11H2,1-5H3,(H,21,22)
InChIKeyXWEOAUPKEIWTME-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.52
Rot. Bonds5

About 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid

2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid (PubChem CID 167929353) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid
PubChem CID167929353
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid
SMILESCc1ccc(CNC(C)(C)C(C)(C)C(=O)O)c2ncccc12
InChIInChI=1S/C18H24N2O2/c1-12-8-9-13(15-14(12)7-6-10-19-15)11-20-18(4,5)17(2,3)16(21)22/h6-10,20H,11H2,1-5H3,(H,21,22)
InChIKeyXWEOAUPKEIWTME-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid (CID 167929353) is 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid is Cc1ccc(CNC(C)(C)C(C)(C)C(=O)O)c2ncccc12.
What is the InChIKey of 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid?
The InChIKey is XWEOAUPKEIWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-8-9-13(15-14(12)7-6-10-19-15)11-20-18(4,5)17(2,3)16(21)22/h6-10,20H,11H2,1-5H3,(H,21,22).
What are the key properties of 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid?
2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid has a molecular weight of 300.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(5-methylquinolin-8-yl)methylamino]butanoic acid is sourced from PubChem (CID 167929353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).