tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate

C16H24N2O3 — CID 138014700

IUPACtert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-13-10-20-9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19)/t12-,13-,14?/m1/s1
InChIKeyIJEYDDCFCUKASH-ZFXTZCCVSA-N
MW292.38 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate

tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate (PubChem CID 138014700) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate
PubChem CID138014700
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-13-10-20-9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19)/t12-,13-,14?/m1/s1
InChIKeyIJEYDDCFCUKASH-ZFXTZCCVSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-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-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
CID 103748482
benzyl N-[2-(1-hydroxyethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 68765592
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate (CID 138014700) is tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(N)c1ccccc1.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate?
The InChIKey is IJEYDDCFCUKASH-ZFXTZCCVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-13-10-20-9-12(13)14(17)11-7-5-4-6-8-11/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19)/t12-,13-,14?/m1/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate is sourced from PubChem (CID 138014700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).