tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate

C16H30N2O3 — CID 178196965

IUPACtert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCOC1[C@H]1[C@H](CN)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-9-10-6-7-20-13(10)12-11(8-17)16(12,4)5/h10-13H,6-9,17H2,1-5H3,(H,18,19)/t10-,11-,12+,13?/m0/s1
InChIKeyBVMPTWHGVSRRJO-ACJTYDJDSA-N
MW298.43 g/mol
LogP2.15
Rot. Bonds4

About tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate

tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate (PubChem CID 178196965) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate
PubChem CID178196965
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCOC1[C@H]1[C@H](CN)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-9-10-6-7-20-13(10)12-11(8-17)16(12,4)5/h10-13H,6-9,17H2,1-5H3,(H,18,19)/t10-,11-,12+,13?/m0/s1
InChIKeyBVMPTWHGVSRRJO-ACJTYDJDSA-N
XLogP2.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2-prop-2-ynoyloxolan-3-yl)methyl]carbamate
CID 165461778
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CID 102577946
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[2-[(2-methyloxan-4-yl)amino]cyclopentyl]methyl]carbamate
CID 103910973
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
1-amino-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 115050658
tert-butyl N-[1-[[(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-2-methylpropan-2-yl]carbamate
CID 99851463
chloromethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-3-carboxylate
CID 165439742
tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate
CID 178197756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate (CID 178196965) is tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCOC1[C@H]1[C@H](CN)C1(C)C.
What is the InChIKey of tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate?
The InChIKey is BVMPTWHGVSRRJO-ACJTYDJDSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-9-10-6-7-20-13(10)12-11(8-17)16(12,4)5/h10-13H,6-9,17H2,1-5H3,(H,18,19)/t10-,11-,12+,13?/m0/s1.
What are the key properties of tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate?
tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S)-2-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]oxolan-3-yl]methyl]carbamate is sourced from PubChem (CID 178196965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).