2-(carbamoylamino)ethyl acetate

C5H10N2O3 — CID 19086267

IUPAC2-(carbamoylamino)ethyl acetate
SMILESCC(=O)OCCNC(N)=O
InChIInChI=1S/C5H10N2O3/c1-4(8)10-3-2-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)
InChIKeyGRTNEVUJXWPZRD-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.78
Rot. Bonds3

About 2-(carbamoylamino)ethyl acetate

2-(carbamoylamino)ethyl acetate (PubChem CID 19086267) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-(carbamoylamino)ethyl acetate.

Molecular Properties

Compound Name2-(carbamoylamino)ethyl acetate
PubChem CID19086267
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-(carbamoylamino)ethyl acetate
SMILESCC(=O)OCCNC(N)=O
InChIInChI=1S/C5H10N2O3/c1-4(8)10-3-2-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)
InChIKeyGRTNEVUJXWPZRD-UHFFFAOYSA-N
XLogP-0.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)ethyl acetate?
The IUPAC name of 2-(carbamoylamino)ethyl acetate (CID 19086267) is 2-(carbamoylamino)ethyl acetate.
What is the SMILES notation for 2-(carbamoylamino)ethyl acetate?
The canonical SMILES for 2-(carbamoylamino)ethyl acetate is CC(=O)OCCNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)ethyl acetate?
The InChIKey is GRTNEVUJXWPZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(8)10-3-2-7-5(6)9/h2-3H2,1H3,(H3,6,7,9).
What are the key properties of 2-(carbamoylamino)ethyl acetate?
2-(carbamoylamino)ethyl acetate has a molecular weight of 146.15 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)ethyl acetate is sourced from PubChem (CID 19086267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).