tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate

C10H19NO4 — CID 89082388

IUPACtert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate
SMILESCOC(C=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11(4)6-8(7-12)14-5/h7-8H,6H2,1-5H3
InChIKeyVPQVEOQRFRCUOH-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.07
Rot. Bonds4

About tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate

tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate (PubChem CID 89082388) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate
PubChem CID89082388
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate
SMILESCOC(C=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11(4)6-8(7-12)14-5/h7-8H,6H2,1-5H3
InChIKeyVPQVEOQRFRCUOH-UHFFFAOYSA-N
XLogP1.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
CID 105473883
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
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-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
2-(fluoromethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 105495939
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
S-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl] ethanethioate
CID 91382308
tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 13034825
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate (CID 89082388) is tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate is COC(C=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate?
The InChIKey is VPQVEOQRFRCUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11(4)6-8(7-12)14-5/h7-8H,6H2,1-5H3.
What are the key properties of tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate?
tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate has a molecular weight of 217.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate is sourced from PubChem (CID 89082388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).