tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate

C16H24N2O3 — CID 124681204

IUPACtert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOc1ccc2c(c1)CC[C@@H](CN)N2C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-12(10-17)6-5-11-9-13(20-4)7-8-14(11)18/h7-9,12H,5-6,10,17H2,1-4H3/t12-/m0/s1
InChIKeyQJMKTFGICRTJQU-LBPRGKRZSA-N
MW292.38 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 124681204) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID124681204
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOc1ccc2c(c1)CC[C@@H](CN)N2C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-12(10-17)6-5-11-9-13(20-4)7-8-14(11)18/h7-9,12H,5-6,10,17H2,1-4H3/t12-/m0/s1
InChIKeyQJMKTFGICRTJQU-LBPRGKRZSA-N
XLogP2.71
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124681203
tert-butyl 2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 122199003
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
CID 19039847
tert-butyl 6-bromo-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590152
N-[2,6-di(propan-2-yl)phenyl]-3-(2-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 139751007
1-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623666
tert-butyl (2R)-5-bromo-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
CID 102395681
tert-butyl (3S)-1-(2-amino-2-oxoethyl)-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate
CID 57449423
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
2-O-tert-butyl 1-O-ethyl 6-methoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 118622757
6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 75247838

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (CID 124681204) is tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is COc1ccc2c(c1)CC[C@@H](CN)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is QJMKTFGICRTJQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-12(10-17)6-5-11-9-13(20-4)7-8-14(11)18/h7-9,12H,5-6,10,17H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 124681204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).