ethyl 2-(chloromethoxycarbonylamino)acetate

C6H10ClNO4 — CID 124705621

IUPACethyl 2-(chloromethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCCl
InChIInChI=1S/C6H10ClNO4/c1-2-11-5(9)3-8-6(10)12-4-7/h2-4H2,1H3,(H,8,10)
InChIKeyDJRMGWLTIZGAOF-UHFFFAOYSA-N
MW195.60 g/mol
LogP0.47
Rot. Bonds4

About ethyl 2-(chloromethoxycarbonylamino)acetate

ethyl 2-(chloromethoxycarbonylamino)acetate (PubChem CID 124705621) has the molecular formula C6H10ClNO4 and a molecular weight of 195.60 g/mol. Its IUPAC name is ethyl 2-(chloromethoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(chloromethoxycarbonylamino)acetate
PubChem CID124705621
Molecular FormulaC6H10ClNO4
Molecular Weight195.60 g/mol
Exact Mass195.03
IUPAC Nameethyl 2-(chloromethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCCl
InChIInChI=1S/C6H10ClNO4/c1-2-11-5(9)3-8-6(10)12-4-7/h2-4H2,1H3,(H,8,10)
InChIKeyDJRMGWLTIZGAOF-UHFFFAOYSA-N
XLogP0.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(chloromethoxycarbonylamino)acetate?
The IUPAC name of ethyl 2-(chloromethoxycarbonylamino)acetate (CID 124705621) is ethyl 2-(chloromethoxycarbonylamino)acetate.
What is the SMILES notation for ethyl 2-(chloromethoxycarbonylamino)acetate?
The canonical SMILES for ethyl 2-(chloromethoxycarbonylamino)acetate is CCOC(=O)CNC(=O)OCCl.
What is the InChIKey of ethyl 2-(chloromethoxycarbonylamino)acetate?
The InChIKey is DJRMGWLTIZGAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO4/c1-2-11-5(9)3-8-6(10)12-4-7/h2-4H2,1H3,(H,8,10).
What are the key properties of ethyl 2-(chloromethoxycarbonylamino)acetate?
ethyl 2-(chloromethoxycarbonylamino)acetate has a molecular weight of 195.60 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(chloromethoxycarbonylamino)acetate is sourced from PubChem (CID 124705621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).