tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate

C20H44N4O4S2 — CID 158541004

IUPACtert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate
SMILESCSCC[C@H](CN)NC(=O)OC(C)(C)C.CSC[C@@H](CCN)NC(=O)OC(C)(C)C
InChIInChI=1S/2C10H22N2O2S/c1-10(2,3)14-9(13)12-8(7-11)5-6-15-4;1-10(2,3)14-9(13)12-8(5-6-11)7-15-4/h2*8H,5-7,11H2,1-4H3,(H,12,13)/t2*8-/m11/s1
InChIKeyHONCJRDDDVKMEX-NWKMIUOTSA-N
MW468.73 g/mol
LogP3.18
Rot. Bonds10

About tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate

tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate (PubChem CID 158541004) has the molecular formula C20H44N4O4S2 and a molecular weight of 468.73 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate
PubChem CID158541004
Molecular FormulaC20H44N4O4S2
Molecular Weight468.73 g/mol
Exact Mass468.28
IUPAC Nametert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate
SMILESCSCC[C@H](CN)NC(=O)OC(C)(C)C.CSC[C@@H](CCN)NC(=O)OC(C)(C)C
InChIInChI=1S/2C10H22N2O2S/c1-10(2,3)14-9(13)12-8(7-11)5-6-15-4;1-10(2,3)14-9(13)12-8(5-6-11)7-15-4/h2*8H,5-7,11H2,1-4H3,(H,12,13)/t2*8-/m11/s1
InChIKeyHONCJRDDDVKMEX-NWKMIUOTSA-N
XLogP3.18
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.73
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate with MolForge

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Related Compounds

3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutyl]disulfanyl]propanoic acid
CID 129048053
tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
CID 176793158
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutyl] methanesulfonate
CID 85120556
tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197
tert-butyl N-[(2S)-1-chloro-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 131217550
methyl (3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoate
CID 91551587
tert-butyl N-(5-methylsulfanylpent-1-en-3-yl)carbamate
CID 90058718
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]carbamate
CID 43103815
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 24688995
methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
CID 20622905
S-[4-ethylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] ethanethioate
CID 123663296
methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoate
CID 57363973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate (CID 158541004) is tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate is CSCC[C@H](CN)NC(=O)OC(C)(C)C.CSC[C@@H](CCN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate?
The InChIKey is HONCJRDDDVKMEX-NWKMIUOTSA-N. The full InChI is InChI=1S/2C10H22N2O2S/c1-10(2,3)14-9(13)12-8(7-11)5-6-15-4;1-10(2,3)14-9(13)12-8(5-6-11)7-15-4/h2*8H,5-7,11H2,1-4H3,(H,12,13)/t2*8-/m11/s1.
What are the key properties of tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate has a molecular weight of 468.73 g/mol, XLogP of 3.18, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-amino-4-methylsulfanylbutan-2-yl]carbamate;tert-butyl N-[(2R)-4-amino-1-methylsulfanylbutan-2-yl]carbamate is sourced from PubChem (CID 158541004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).