acetyl(2-methoxyethyl)carbamic acid;hydrochloride

C6H12ClNO4 — CID 88817678

IUPACacetyl(2-methoxyethyl)carbamic acid;hydrochloride
SMILESCOCCN(C(C)=O)C(=O)O.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-5(8)7(6(9)10)3-4-11-2;/h3-4H2,1-2H3,(H,9,10);1H
InChIKeyLMJJRXMBDAALBP-UHFFFAOYSA-N
MW197.62 g/mol
LogP0.58
Rot. Bonds3

About acetyl(2-methoxyethyl)carbamic acid;hydrochloride

acetyl(2-methoxyethyl)carbamic acid;hydrochloride (PubChem CID 88817678) has the molecular formula C6H12ClNO4 and a molecular weight of 197.62 g/mol. Its IUPAC name is acetyl(2-methoxyethyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Nameacetyl(2-methoxyethyl)carbamic acid;hydrochloride
PubChem CID88817678
Molecular FormulaC6H12ClNO4
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Nameacetyl(2-methoxyethyl)carbamic acid;hydrochloride
SMILESCOCCN(C(C)=O)C(=O)O.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-5(8)7(6(9)10)3-4-11-2;/h3-4H2,1-2H3,(H,9,10);1H
InChIKeyLMJJRXMBDAALBP-UHFFFAOYSA-N
XLogP0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetyl(2-methoxyethyl)carbamic acid;hydrochloride?
The IUPAC name of acetyl(2-methoxyethyl)carbamic acid;hydrochloride (CID 88817678) is acetyl(2-methoxyethyl)carbamic acid;hydrochloride.
What is the SMILES notation for acetyl(2-methoxyethyl)carbamic acid;hydrochloride?
The canonical SMILES for acetyl(2-methoxyethyl)carbamic acid;hydrochloride is COCCN(C(C)=O)C(=O)O.Cl.
What is the InChIKey of acetyl(2-methoxyethyl)carbamic acid;hydrochloride?
The InChIKey is LMJJRXMBDAALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.ClH/c1-5(8)7(6(9)10)3-4-11-2;/h3-4H2,1-2H3,(H,9,10);1H.
What are the key properties of acetyl(2-methoxyethyl)carbamic acid;hydrochloride?
acetyl(2-methoxyethyl)carbamic acid;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(2-methoxyethyl)carbamic acid;hydrochloride is sourced from PubChem (CID 88817678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).