2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid

C17H22N2O2 — CID 79262765

IUPAC2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-12-9-13(14-7-5-6-8-15(14)18-12)10-19(11-16(20)21)17(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeyGIKFUPMDXIUYEB-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.23
Rot. Bonds4

About 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid

2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid (PubChem CID 79262765) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
PubChem CID79262765
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-12-9-13(14-7-5-6-8-15(14)18-12)10-19(11-16(20)21)17(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeyGIKFUPMDXIUYEB-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 79234102
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
CID 79235950
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
CID 79268844
2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid
CID 79425470
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871
(2-methylquinolin-4-yl)methanethiol
CID 79885955

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid (CID 79262765) is 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid is Cc1cc(CN(CC(=O)O)C(C)(C)C)c2ccccc2n1.
What is the InChIKey of 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
The InChIKey is GIKFUPMDXIUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-9-13(14-7-5-6-8-15(14)18-12)10-19(11-16(20)21)17(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid?
2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid has a molecular weight of 286.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 79262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).