tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate

C15H22N2O3 — CID 95241558

IUPACtert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc2[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-10-8-16-12-7-5-4-6-11(12)13(10)18/h4-7,10,13,16,18H,8-9H2,1-3H3,(H,17,19)/t10-,13+/m0/s1
InChIKeyOTYUFWIETPQGSB-GXFFZTMASA-N
MW278.35 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate

tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate (PubChem CID 95241558) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
PubChem CID95241558
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc2[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-10-8-16-12-7-5-4-6-11(12)13(10)18/h4-7,10,13,16,18H,8-9H2,1-3H3,(H,17,19)/t10-,13+/m0/s1
InChIKeyOTYUFWIETPQGSB-GXFFZTMASA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CID 54593034
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 170945283
tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
CID 131227813
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 117272471
tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68925073
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698
tert-butyl N-[[2-(2-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 69412013

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate (CID 95241558) is tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc2[C@@H]1O.
What is the InChIKey of tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate?
The InChIKey is OTYUFWIETPQGSB-GXFFZTMASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-10-8-16-12-7-5-4-6-11(12)13(10)18/h4-7,10,13,16,18H,8-9H2,1-3H3,(H,17,19)/t10-,13+/m0/s1.
What are the key properties of tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate?
tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate is sourced from PubChem (CID 95241558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).