ethyl(methoxy)carbamic acid

C4H9NO3 — CID 20532492

IUPACethyl(methoxy)carbamic acid
SMILESCCN(OC)C(=O)O
InChIInChI=1S/C4H9NO3/c1-3-5(8-2)4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyPOCOEABMBALFJU-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.55
Rot. Bonds2

About ethyl(methoxy)carbamic acid

ethyl(methoxy)carbamic acid (PubChem CID 20532492) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is ethyl(methoxy)carbamic acid.

Molecular Properties

Compound Nameethyl(methoxy)carbamic acid
PubChem CID20532492
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Nameethyl(methoxy)carbamic acid
SMILESCCN(OC)C(=O)O
InChIInChI=1S/C4H9NO3/c1-3-5(8-2)4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyPOCOEABMBALFJU-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl(methoxy)carbamic acid?
The IUPAC name of ethyl(methoxy)carbamic acid (CID 20532492) is ethyl(methoxy)carbamic acid.
What is the SMILES notation for ethyl(methoxy)carbamic acid?
The canonical SMILES for ethyl(methoxy)carbamic acid is CCN(OC)C(=O)O.
What is the InChIKey of ethyl(methoxy)carbamic acid?
The InChIKey is POCOEABMBALFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-3-5(8-2)4(6)7/h3H2,1-2H3,(H,6,7).
What are the key properties of ethyl(methoxy)carbamic acid?
ethyl(methoxy)carbamic acid has a molecular weight of 119.12 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(methoxy)carbamic acid is sourced from PubChem (CID 20532492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).