acetyl(ethyl)carbamic acid;hydrochloride

C5H10ClNO3 — CID 88818290

IUPACacetyl(ethyl)carbamic acid;hydrochloride
SMILESCCN(C(C)=O)C(=O)O.Cl
InChIInChI=1S/C5H9NO3.ClH/c1-3-6(4(2)7)5(8)9;/h3H2,1-2H3,(H,8,9);1H
InChIKeyLLVXSXDFUFBDEF-UHFFFAOYSA-N
MW167.59 g/mol
LogP0.95
Rot. Bonds1

About acetyl(ethyl)carbamic acid;hydrochloride

acetyl(ethyl)carbamic acid;hydrochloride (PubChem CID 88818290) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is acetyl(ethyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Nameacetyl(ethyl)carbamic acid;hydrochloride
PubChem CID88818290
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Nameacetyl(ethyl)carbamic acid;hydrochloride
SMILESCCN(C(C)=O)C(=O)O.Cl
InChIInChI=1S/C5H9NO3.ClH/c1-3-6(4(2)7)5(8)9;/h3H2,1-2H3,(H,8,9);1H
InChIKeyLLVXSXDFUFBDEF-UHFFFAOYSA-N
XLogP0.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetyl(ethyl)carbamic acid;hydrochloride?
The IUPAC name of acetyl(ethyl)carbamic acid;hydrochloride (CID 88818290) is acetyl(ethyl)carbamic acid;hydrochloride.
What is the SMILES notation for acetyl(ethyl)carbamic acid;hydrochloride?
The canonical SMILES for acetyl(ethyl)carbamic acid;hydrochloride is CCN(C(C)=O)C(=O)O.Cl.
What is the InChIKey of acetyl(ethyl)carbamic acid;hydrochloride?
The InChIKey is LLVXSXDFUFBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c1-3-6(4(2)7)5(8)9;/h3H2,1-2H3,(H,8,9);1H.
What are the key properties of acetyl(ethyl)carbamic acid;hydrochloride?
acetyl(ethyl)carbamic acid;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(ethyl)carbamic acid;hydrochloride is sourced from PubChem (CID 88818290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).