tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate

C14H21N3O3 — CID 131739721

IUPACtert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1Cc2ncc(N)cc2C[C@H]1O
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-11-6-10-8(5-12(11)18)4-9(15)7-16-10/h4,7,11-12,18H,5-6,15H2,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyVIGRSAZGDJADES-NWDGAFQWSA-N
MW279.34 g/mol
LogP1.02
Rot. Bonds1

About tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate

tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate (PubChem CID 131739721) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate
PubChem CID131739721
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1Cc2ncc(N)cc2C[C@H]1O
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-11-6-10-8(5-12(11)18)4-9(15)7-16-10/h4,7,11-12,18H,5-6,15H2,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyVIGRSAZGDJADES-NWDGAFQWSA-N
XLogP1.02
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
CID 86643888
tert-butyl N-[(6S)-3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
CID 177053985
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl 3-amino-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 159373493
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate (CID 131739721) is tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1Cc2ncc(N)cc2C[C@H]1O.
What is the InChIKey of tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate?
The InChIKey is VIGRSAZGDJADES-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-11-6-10-8(5-12(11)18)4-9(15)7-16-10/h4,7,11-12,18H,5-6,15H2,1-3H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate?
tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate is sourced from PubChem (CID 131739721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).