tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate

C10H22N2O4 — CID 141468763

IUPACtert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate
SMILESCOCNC(O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4/c1-7(8(13)11-6-15-5)12-9(14)16-10(2,3)4/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyFGOXYYBPGAOORM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.41
Rot. Bonds5

About tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate

tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate (PubChem CID 141468763) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate
PubChem CID141468763
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Nametert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate
SMILESCOCNC(O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4/c1-7(8(13)11-6-15-5)12-9(14)16-10(2,3)4/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyFGOXYYBPGAOORM-UHFFFAOYSA-N
XLogP0.41
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S,2S)-1-cyclopropyl-2-hydroxy-2-(methoxymethylamino)ethyl]carbamate
CID 170943611
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 162520562
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
CID 87884669
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848
tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 167208112
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate (CID 141468763) is tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate is COCNC(O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate?
The InChIKey is FGOXYYBPGAOORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-7(8(13)11-6-15-5)12-9(14)16-10(2,3)4/h7-8,11,13H,6H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate has a molecular weight of 234.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 141468763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).