tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate

C8H17NO4 — CID 51898096

IUPACtert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
SMILESCO[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(11)9-6(5-10)12-4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyWOUPEUOOKULCDC-ZCFIWIBFSA-N
MW191.23 g/mol
LogP0.48
Rot. Bonds3

About tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate

tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate (PubChem CID 51898096) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
PubChem CID51898096
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nametert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
SMILESCO[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(11)9-6(5-10)12-4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyWOUPEUOOKULCDC-ZCFIWIBFSA-N
XLogP0.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-1-methoxyhex-3-enyl]carbamate
CID 163751900
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
N-(2-hydroxy-1-methoxyethyl)propanamide
CID 22735160
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] formate
CID 89296265
tert-butyl N-[(2R)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamate
CID 87558504
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate
CID 72529602

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate (CID 51898096) is tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate is CO[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate?
The InChIKey is WOUPEUOOKULCDC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2,3)13-7(11)9-6(5-10)12-4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate?
tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate has a molecular weight of 191.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate is sourced from PubChem (CID 51898096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).