tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate

C15H28N2O3 — CID 125449749

IUPACtert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC[C@@H](CN)O2
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-11-4-7-15(8-5-11)9-6-12(10-16)19-15/h11-12H,4-10,16H2,1-3H3,(H,17,18)/t11?,12-,15?/m0/s1
InChIKeyLGTQJSJAVGKOBB-AVERBVTBSA-N
MW284.40 g/mol
LogP2.33
Rot. Bonds2

About tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate

tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate (PubChem CID 125449749) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate
PubChem CID125449749
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC[C@@H](CN)O2
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-11-4-7-15(8-5-11)9-6-12(10-16)19-15/h11-12H,4-10,16H2,1-3H3,(H,17,18)/t11?,12-,15?/m0/s1
InChIKeyLGTQJSJAVGKOBB-AVERBVTBSA-N
XLogP2.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-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-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
CID 134289716
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
CID 172506424
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-[2-(hydroxymethyl)-2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)propyl]carbamate
CID 106508716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate (CID 125449749) is tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate is CC(C)(C)OC(=O)NC1CCC2(CC1)CC[C@@H](CN)O2.
What is the InChIKey of tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate?
The InChIKey is LGTQJSJAVGKOBB-AVERBVTBSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-11-4-7-15(8-5-11)9-6-12(10-16)19-15/h11-12H,4-10,16H2,1-3H3,(H,17,18)/t11?,12-,15?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate?
tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate is sourced from PubChem (CID 125449749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).