acetic acid;ethyl carbamate

C7H15NO6 — CID 157349378

IUPACacetic acid;ethyl carbamate
SMILESCC(=O)O.CC(=O)O.CCOC(N)=O
InChIInChI=1S/C3H7NO2.2C2H4O2/c1-2-6-3(4)5;2*1-2(3)4/h2H2,1H3,(H2,4,5);2*1H3,(H,3,4)
InChIKeyBHIQXTVYMIUJJN-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.28
Rot. Bonds1

About acetic acid;ethyl carbamate

acetic acid;ethyl carbamate (PubChem CID 157349378) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is acetic acid;ethyl carbamate.

Molecular Properties

Compound Nameacetic acid;ethyl carbamate
PubChem CID157349378
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Nameacetic acid;ethyl carbamate
SMILESCC(=O)O.CC(=O)O.CCOC(N)=O
InChIInChI=1S/C3H7NO2.2C2H4O2/c1-2-6-3(4)5;2*1-2(3)4/h2H2,1H3,(H2,4,5);2*1H3,(H,3,4)
InChIKeyBHIQXTVYMIUJJN-UHFFFAOYSA-N
XLogP0.28
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl carbamate?
The IUPAC name of acetic acid;ethyl carbamate (CID 157349378) is acetic acid;ethyl carbamate.
What is the SMILES notation for acetic acid;ethyl carbamate?
The canonical SMILES for acetic acid;ethyl carbamate is CC(=O)O.CC(=O)O.CCOC(N)=O.
What is the InChIKey of acetic acid;ethyl carbamate?
The InChIKey is BHIQXTVYMIUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.2C2H4O2/c1-2-6-3(4)5;2*1-2(3)4/h2H2,1H3,(H2,4,5);2*1H3,(H,3,4).
What are the key properties of acetic acid;ethyl carbamate?
acetic acid;ethyl carbamate has a molecular weight of 209.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl carbamate is sourced from PubChem (CID 157349378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).