2-(acetyloxymethylamino)ethyl acetate

C7H13NO4 — CID 87473445

IUPAC2-(acetyloxymethylamino)ethyl acetate
SMILESCC(=O)OCCNCOC(C)=O
InChIInChI=1S/C7H13NO4/c1-6(9)11-4-3-8-5-12-7(2)10/h8H,3-5H2,1-2H3
InChIKeyNCBDXUHYQLLOPI-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.34
Rot. Bonds5

About 2-(acetyloxymethylamino)ethyl acetate

2-(acetyloxymethylamino)ethyl acetate (PubChem CID 87473445) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(acetyloxymethylamino)ethyl acetate.

Molecular Properties

Compound Name2-(acetyloxymethylamino)ethyl acetate
PubChem CID87473445
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-(acetyloxymethylamino)ethyl acetate
SMILESCC(=O)OCCNCOC(C)=O
InChIInChI=1S/C7H13NO4/c1-6(9)11-4-3-8-5-12-7(2)10/h8H,3-5H2,1-2H3
InChIKeyNCBDXUHYQLLOPI-UHFFFAOYSA-N
XLogP-0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
lithium 2-(oxidoamino)ethyl acetate
CID 161258849
acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
CID 162327339
3-(2-acetyloxyethylamino)propane-1-sulfonic acid
CID 12643429
3-(ethylamino)propyl acetate
CID 88999125
2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate
CID 163864906
2-[(4-ethylphenyl)methylamino]ethyl acetate
CID 82533444
2-(methylsulfanylcarbonylamino)ethyl acetate
CID 123611249
3-(butylamino)propyl acetate
CID 82532357
11-acetyloxyundecyl acetate
CID 87784419
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis[2-(2-oxopropylamino)ethyl] (E)-but-2-enedioate
CID 175015643

Frequently Asked Questions

What is the IUPAC name of 2-(acetyloxymethylamino)ethyl acetate?
The IUPAC name of 2-(acetyloxymethylamino)ethyl acetate (CID 87473445) is 2-(acetyloxymethylamino)ethyl acetate.
What is the SMILES notation for 2-(acetyloxymethylamino)ethyl acetate?
The canonical SMILES for 2-(acetyloxymethylamino)ethyl acetate is CC(=O)OCCNCOC(C)=O.
What is the InChIKey of 2-(acetyloxymethylamino)ethyl acetate?
The InChIKey is NCBDXUHYQLLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-6(9)11-4-3-8-5-12-7(2)10/h8H,3-5H2,1-2H3.
What are the key properties of 2-(acetyloxymethylamino)ethyl acetate?
2-(acetyloxymethylamino)ethyl acetate has a molecular weight of 175.18 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetyloxymethylamino)ethyl acetate is sourced from PubChem (CID 87473445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).