2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid

C16H20N2O2 — CID 79268844

IUPAC2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)18(11-15(19)20)10-12-6-7-14-13(9-12)5-4-8-17-14/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyWYPYJTJFCXCWHJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds4

About 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid

2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid (PubChem CID 79268844) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
PubChem CID79268844
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)18(11-15(19)20)10-12-6-7-14-13(9-12)5-4-8-17-14/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyWYPYJTJFCXCWHJ-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(pyridin-3-ylmethyl)amino]acetic acid
CID 79269104
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid
CID 79269645
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
CID 62008003
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-[tert-butyl-[(3-cyanophenyl)methyl]amino]acetic acid
CID 79268938
ethane;quinoline-6-carboxylic acid
CID 91364452
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid (CID 79268844) is 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)Cc1ccc2ncccc2c1.
What is the InChIKey of 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid?
The InChIKey is WYPYJTJFCXCWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)18(11-15(19)20)10-12-6-7-14-13(9-12)5-4-8-17-14/h4-9H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid?
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid is sourced from PubChem (CID 79268844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).