ethyl 2-(2-acetamidoethylcarbamoylamino)acetate

C9H17N3O4 — CID 43398006

IUPACethyl 2-(2-acetamidoethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCNC(C)=O
InChIInChI=1S/C9H17N3O4/c1-3-16-8(14)6-12-9(15)11-5-4-10-7(2)13/h3-6H2,1-2H3,(H,10,13)(H2,11,12,15)
InChIKeyUGXCFMNMUUAQQJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.02
Rot. Bonds6

About ethyl 2-(2-acetamidoethylcarbamoylamino)acetate

ethyl 2-(2-acetamidoethylcarbamoylamino)acetate (PubChem CID 43398006) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-(2-acetamidoethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-acetamidoethylcarbamoylamino)acetate
PubChem CID43398006
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Nameethyl 2-(2-acetamidoethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCNC(C)=O
InChIInChI=1S/C9H17N3O4/c1-3-16-8(14)6-12-9(15)11-5-4-10-7(2)13/h3-6H2,1-2H3,(H,10,13)(H2,11,12,15)
InChIKeyUGXCFMNMUUAQQJ-UHFFFAOYSA-N
XLogP-1.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 ethyl 2-(2-acetamidoethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2-acetamidoethylcarbamoylamino)acetate (CID 43398006) is ethyl 2-(2-acetamidoethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2-acetamidoethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2-acetamidoethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCCNC(C)=O.
What is the InChIKey of ethyl 2-(2-acetamidoethylcarbamoylamino)acetate?
The InChIKey is UGXCFMNMUUAQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-3-16-8(14)6-12-9(15)11-5-4-10-7(2)13/h3-6H2,1-2H3,(H,10,13)(H2,11,12,15).
What are the key properties of ethyl 2-(2-acetamidoethylcarbamoylamino)acetate?
ethyl 2-(2-acetamidoethylcarbamoylamino)acetate has a molecular weight of 231.25 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetamidoethylcarbamoylamino)acetate is sourced from PubChem (CID 43398006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).