tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate

C17H22N2O2 — CID 103522381

IUPACtert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate
SMILESCC(C)(C)OC(=O)C(CN)Cc1cccc2cccnc12
InChIInChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)14(11-18)10-13-7-4-6-12-8-5-9-19-15(12)13/h4-9,14H,10-11,18H2,1-3H3
InChIKeyATKOSTPORDWVLF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds4

About tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate

tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate (PubChem CID 103522381) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate
PubChem CID103522381
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nametert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate
SMILESCC(C)(C)OC(=O)C(CN)Cc1cccc2cccnc12
InChIInChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)14(11-18)10-13-7-4-6-12-8-5-9-19-15(12)13/h4-9,14H,10-11,18H2,1-3H3
InChIKeyATKOSTPORDWVLF-UHFFFAOYSA-N
XLogP2.69
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate
CID 75380269
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409
1-quinolin-8-ylpropan-2-amine
CID 63968867
ethyl 2-quinolin-8-ylacetate
CID 52562898
2-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 54883641
2-methyl-2-(quinolin-8-ylmethoxy)butan-1-amine
CID 65053179
2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81223704
tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate?
The IUPAC name of tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate (CID 103522381) is tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate is CC(C)(C)OC(=O)C(CN)Cc1cccc2cccnc12.
What is the InChIKey of tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate?
The InChIKey is ATKOSTPORDWVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)14(11-18)10-13-7-4-6-12-8-5-9-19-15(12)13/h4-9,14H,10-11,18H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate?
tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate has a molecular weight of 286.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate is sourced from PubChem (CID 103522381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).