acetyl(1-methoxyethyl)carbamic acid

C6H11NO4 — CID 21444920

IUPACacetyl(1-methoxyethyl)carbamic acid
SMILESCOC(C)N(C(C)=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(8)7(6(9)10)5(2)11-3/h5H,1-3H3,(H,9,10)
InChIKeyZDQMDNUWBJHZJU-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.51
Rot. Bonds2

About acetyl(1-methoxyethyl)carbamic acid

acetyl(1-methoxyethyl)carbamic acid (PubChem CID 21444920) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is acetyl(1-methoxyethyl)carbamic acid.

Molecular Properties

Compound Nameacetyl(1-methoxyethyl)carbamic acid
PubChem CID21444920
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameacetyl(1-methoxyethyl)carbamic acid
SMILESCOC(C)N(C(C)=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(8)7(6(9)10)5(2)11-3/h5H,1-3H3,(H,9,10)
InChIKeyZDQMDNUWBJHZJU-UHFFFAOYSA-N
XLogP0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyl(1-methoxyethyl)carbamic acid?
The IUPAC name of acetyl(1-methoxyethyl)carbamic acid (CID 21444920) is acetyl(1-methoxyethyl)carbamic acid.
What is the SMILES notation for acetyl(1-methoxyethyl)carbamic acid?
The canonical SMILES for acetyl(1-methoxyethyl)carbamic acid is COC(C)N(C(C)=O)C(=O)O.
What is the InChIKey of acetyl(1-methoxyethyl)carbamic acid?
The InChIKey is ZDQMDNUWBJHZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(8)7(6(9)10)5(2)11-3/h5H,1-3H3,(H,9,10).
What are the key properties of acetyl(1-methoxyethyl)carbamic acid?
acetyl(1-methoxyethyl)carbamic acid has a molecular weight of 161.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(1-methoxyethyl)carbamic acid is sourced from PubChem (CID 21444920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).