tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate

C12H26N2O3 — CID 87303261

IUPACtert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
SMILESCC(C)[C@H](O)[C@H](N)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-8(2)10(15)9(13)7-14(6)11(16)17-12(3,4)5/h8-10,15H,7,13H2,1-6H3/t9-,10+/m1/s1
InChIKeyLMISIOSFEKNORP-ZJUUUORDSA-N
MW246.35 g/mol
LogP1.20
Rot. Bonds4

About tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate

tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate (PubChem CID 87303261) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
PubChem CID87303261
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
SMILESCC(C)[C@H](O)[C@H](N)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-8(2)10(15)9(13)7-14(6)11(16)17-12(3,4)5/h8-10,15H,7,13H2,1-6H3/t9-,10+/m1/s1
InChIKeyLMISIOSFEKNORP-ZJUUUORDSA-N
XLogP1.20
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 13034825
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
CID 59201362
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
CID 75834024
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate (CID 87303261) is tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate is CC(C)[C@H](O)[C@H](N)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate?
The InChIKey is LMISIOSFEKNORP-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-8(2)10(15)9(13)7-14(6)11(16)17-12(3,4)5/h8-10,15H,7,13H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate?
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate has a molecular weight of 246.35 g/mol, XLogP of 1.20, 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-hydroxy-4-methylpentyl]-N-methylcarbamate is sourced from PubChem (CID 87303261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).