amino pentan-3-yloxymethyl carbonate

C7H15NO4 — CID 89015684

IUPACamino pentan-3-yloxymethyl carbonate
SMILESCCC(CC)OCOC(=O)ON
InChIInChI=1S/C7H15NO4/c1-3-6(4-2)10-5-11-7(9)12-8/h6H,3-5,8H2,1-2H3
InChIKeyHHEBDEKOXIWESV-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.18
Rot. Bonds5

About amino pentan-3-yloxymethyl carbonate

amino pentan-3-yloxymethyl carbonate (PubChem CID 89015684) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is amino pentan-3-yloxymethyl carbonate.

Molecular Properties

Compound Nameamino pentan-3-yloxymethyl carbonate
PubChem CID89015684
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Nameamino pentan-3-yloxymethyl carbonate
SMILESCCC(CC)OCOC(=O)ON
InChIInChI=1S/C7H15NO4/c1-3-6(4-2)10-5-11-7(9)12-8/h6H,3-5,8H2,1-2H3
InChIKeyHHEBDEKOXIWESV-UHFFFAOYSA-N
XLogP1.18
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl pentan-3-yloxymethyl carbonate
CID 89015667
pentan-3-yloxymethyl propan-2-yl carbonate
CID 89141057
amino ethyl carbonate;ethanol
CID 158439485
[3-propanoyloxy-2-(propanoyloxymethoxy)propyl] propanoate
CID 10913266
amino 2-ethoxypropanoate
CID 87914402
2-ethoxybutyl ethyl carbonate
CID 87247683
amino ethyl carbonate;ethylhydrazine
CID 174534035
1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate
CID 19753420
amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 54098191
amino 2-amino-2-(pentan-3-ylamino)acetate
CID 89231913
diamino carbonate;guanidine
CID 87141757
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312

Frequently Asked Questions

What is the IUPAC name of amino pentan-3-yloxymethyl carbonate?
The IUPAC name of amino pentan-3-yloxymethyl carbonate (CID 89015684) is amino pentan-3-yloxymethyl carbonate.
What is the SMILES notation for amino pentan-3-yloxymethyl carbonate?
The canonical SMILES for amino pentan-3-yloxymethyl carbonate is CCC(CC)OCOC(=O)ON.
What is the InChIKey of amino pentan-3-yloxymethyl carbonate?
The InChIKey is HHEBDEKOXIWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-3-6(4-2)10-5-11-7(9)12-8/h6H,3-5,8H2,1-2H3.
What are the key properties of amino pentan-3-yloxymethyl carbonate?
amino pentan-3-yloxymethyl carbonate has a molecular weight of 177.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino pentan-3-yloxymethyl carbonate is sourced from PubChem (CID 89015684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).