tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate

C15H30N2O3 — CID 59201362

IUPACtert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
SMILESCN(C[C@@H](N)[C@@H](O)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-14(19)17(4)10-12(16)13(18)11-8-6-5-7-9-11/h11-13,18H,5-10,16H2,1-4H3/t12-,13+/m1/s1
InChIKeyPNCMCFQFAIMBTA-OLZOCXBDSA-N
MW286.42 g/mol
LogP2.12
Rot. Bonds4

About tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate

tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate (PubChem CID 59201362) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
PubChem CID59201362
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
SMILESCN(C[C@@H](N)[C@@H](O)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-14(19)17(4)10-12(16)13(18)11-8-6-5-7-9-11/h11-13,18H,5-10,16H2,1-4H3/t12-,13+/m1/s1
InChIKeyPNCMCFQFAIMBTA-OLZOCXBDSA-N
XLogP2.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-1-amino-3-cycloheptyl-3-hydroxypropyl]-N-methylcarbamate
CID 67188506
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-[2-cyclohexyl-2-[hydroxy(sulfanyl)phosphinothioyl]oxyethyl]-N-methylcarbamate
CID 18978278
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
tert-butyl N-[2-(3,3-difluorocyclobutyl)-2-hydroxyethyl]-N-methylcarbamate
CID 167740963
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate (CID 59201362) is tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate is CN(C[C@@H](N)[C@@H](O)C1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
The InChIKey is PNCMCFQFAIMBTA-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)20-14(19)17(4)10-12(16)13(18)11-8-6-5-7-9-11/h11-13,18H,5-10,16H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate?
tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate has a molecular weight of 286.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate is sourced from PubChem (CID 59201362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).