[3-(methoxymethylamino)-3-oxopropyl] carbamate

C6H12N2O4 — CID 22489108

IUPAC[3-(methoxymethylamino)-3-oxopropyl] carbamate
SMILESCOCNC(=O)CCOC(N)=O
InChIInChI=1S/C6H12N2O4/c1-11-4-8-5(9)2-3-12-6(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyWMCCUAFNHYNOQI-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.81
Rot. Bonds5

About [3-(methoxymethylamino)-3-oxopropyl] carbamate

[3-(methoxymethylamino)-3-oxopropyl] carbamate (PubChem CID 22489108) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is [3-(methoxymethylamino)-3-oxopropyl] carbamate.

Molecular Properties

Compound Name[3-(methoxymethylamino)-3-oxopropyl] carbamate
PubChem CID22489108
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name[3-(methoxymethylamino)-3-oxopropyl] carbamate
SMILESCOCNC(=O)CCOC(N)=O
InChIInChI=1S/C6H12N2O4/c1-11-4-8-5(9)2-3-12-6(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyWMCCUAFNHYNOQI-UHFFFAOYSA-N
XLogP-0.81
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.81
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

N-(methoxymethyl)-3-[3-(methoxymethylamino)-3-oxopropoxy]propanamide
CID 163884535
(3-hydrazinyl-3-oxopropyl) carbamate
CID 175058137
4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669
N-(methoxymethyl)hexadecanamide
CID 59805196
[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
CID 170775177
[4-(methoxymethylamino)-4-oxobutyl]carbamic acid
CID 87833831
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
methyl N-(methoxymethyl)carbamate
CID 12599260
propyl N-(methoxymethyl)carbamate
CID 142704391
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
CID 118988091

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethylamino)-3-oxopropyl] carbamate?
The IUPAC name of [3-(methoxymethylamino)-3-oxopropyl] carbamate (CID 22489108) is [3-(methoxymethylamino)-3-oxopropyl] carbamate.
What is the SMILES notation for [3-(methoxymethylamino)-3-oxopropyl] carbamate?
The canonical SMILES for [3-(methoxymethylamino)-3-oxopropyl] carbamate is COCNC(=O)CCOC(N)=O.
What is the InChIKey of [3-(methoxymethylamino)-3-oxopropyl] carbamate?
The InChIKey is WMCCUAFNHYNOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-11-4-8-5(9)2-3-12-6(7)10/h2-4H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of [3-(methoxymethylamino)-3-oxopropyl] carbamate?
[3-(methoxymethylamino)-3-oxopropyl] carbamate has a molecular weight of 176.17 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethylamino)-3-oxopropyl] carbamate is sourced from PubChem (CID 22489108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).