1-carbamoyloxyethyl acetate

C5H9NO4 — CID 18769180

IUPAC1-carbamoyloxyethyl acetate
SMILESCC(=O)OC(C)OC(N)=O
InChIInChI=1S/C5H9NO4/c1-3(7)9-4(2)10-5(6)8/h4H,1-2H3,(H2,6,8)
InChIKeyVCYBBLXSOSDGKQ-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.01
Rot. Bonds2

About 1-carbamoyloxyethyl acetate

1-carbamoyloxyethyl acetate (PubChem CID 18769180) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1-carbamoyloxyethyl acetate.

Molecular Properties

Compound Name1-carbamoyloxyethyl acetate
PubChem CID18769180
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name1-carbamoyloxyethyl acetate
SMILESCC(=O)OC(C)OC(N)=O
InChIInChI=1S/C5H9NO4/c1-3(7)9-4(2)10-5(6)8/h4H,1-2H3,(H2,6,8)
InChIKeyVCYBBLXSOSDGKQ-UHFFFAOYSA-N
XLogP-0.01
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-carbamoyloxyethyl acetate?
The IUPAC name of 1-carbamoyloxyethyl acetate (CID 18769180) is 1-carbamoyloxyethyl acetate.
What is the SMILES notation for 1-carbamoyloxyethyl acetate?
The canonical SMILES for 1-carbamoyloxyethyl acetate is CC(=O)OC(C)OC(N)=O.
What is the InChIKey of 1-carbamoyloxyethyl acetate?
The InChIKey is VCYBBLXSOSDGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(7)9-4(2)10-5(6)8/h4H,1-2H3,(H2,6,8).
What are the key properties of 1-carbamoyloxyethyl acetate?
1-carbamoyloxyethyl acetate has a molecular weight of 147.13 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyloxyethyl acetate is sourced from PubChem (CID 18769180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).