tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane

C10H21NO5 — CID 142468263

IUPACtert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane
SMILESCC(C)(C)OC(=O)NCC(O)C=O.COC
InChIInChI=1S/C8H15NO4.C2H6O/c1-8(2,3)13-7(12)9-4-6(11)5-10;1-3-2/h5-6,11H,4H2,1-3H3,(H,9,12);1-2H3
InChIKeySLNOGEAKXOQHKM-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.33
Rot. Bonds3

About tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane

tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane (PubChem CID 142468263) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane
PubChem CID142468263
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Nametert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane
SMILESCC(C)(C)OC(=O)NCC(O)C=O.COC
InChIInChI=1S/C8H15NO4.C2H6O/c1-8(2,3)13-7(12)9-4-6(11)5-10;1-3-2/h5-6,11H,4H2,1-3H3,(H,9,12);1-2H3
InChIKeySLNOGEAKXOQHKM-UHFFFAOYSA-N
XLogP0.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate
CID 98041193
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
methyl (2S,3R)-2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130935701
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[2-(4-methoxyphenyl)-3-oxopropyl]carbamate
CID 84730391
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
methyl 2-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 75525942

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane?
The IUPAC name of tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane (CID 142468263) is tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane.
What is the SMILES notation for tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane?
The canonical SMILES for tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane is CC(C)(C)OC(=O)NCC(O)C=O.COC.
What is the InChIKey of tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane?
The InChIKey is SLNOGEAKXOQHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C2H6O/c1-8(2,3)13-7(12)9-4-6(11)5-10;1-3-2/h5-6,11H,4H2,1-3H3,(H,9,12);1-2H3.
What are the key properties of tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane?
tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane has a molecular weight of 235.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane is sourced from PubChem (CID 142468263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).