1-aminopropyl methoxymethyl carbonate

C6H13NO4 — CID 90464297

IUPAC1-aminopropyl methoxymethyl carbonate
SMILESCCC(N)OC(=O)OCOC
InChIInChI=1S/C6H13NO4/c1-3-5(7)11-6(8)10-4-9-2/h5H,3-4,7H2,1-2H3
InChIKeyPKUXADVUEKNNIQ-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.44
Rot. Bonds4

About 1-aminopropyl methoxymethyl carbonate

1-aminopropyl methoxymethyl carbonate (PubChem CID 90464297) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-aminopropyl methoxymethyl carbonate.

Molecular Properties

Compound Name1-aminopropyl methoxymethyl carbonate
PubChem CID90464297
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-aminopropyl methoxymethyl carbonate
SMILESCCC(N)OC(=O)OCOC
InChIInChI=1S/C6H13NO4/c1-3-5(7)11-6(8)10-4-9-2/h5H,3-4,7H2,1-2H3
InChIKeyPKUXADVUEKNNIQ-UHFFFAOYSA-N
XLogP0.44
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl methoxymethyl carbonate?
The IUPAC name of 1-aminopropyl methoxymethyl carbonate (CID 90464297) is 1-aminopropyl methoxymethyl carbonate.
What is the SMILES notation for 1-aminopropyl methoxymethyl carbonate?
The canonical SMILES for 1-aminopropyl methoxymethyl carbonate is CCC(N)OC(=O)OCOC.
What is the InChIKey of 1-aminopropyl methoxymethyl carbonate?
The InChIKey is PKUXADVUEKNNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-3-5(7)11-6(8)10-4-9-2/h5H,3-4,7H2,1-2H3.
What are the key properties of 1-aminopropyl methoxymethyl carbonate?
1-aminopropyl methoxymethyl carbonate has a molecular weight of 163.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl methoxymethyl carbonate is sourced from PubChem (CID 90464297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).