ethyl 2-[carbonochloridoyl(methyl)amino]acetate

C6H10ClNO3 — CID 134306024

IUPACethyl 2-[carbonochloridoyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cl
InChIInChI=1S/C6H10ClNO3/c1-3-11-5(9)4-8(2)6(7)10/h3-4H2,1-2H3
InChIKeyOHGJZKDJUOSKEX-UHFFFAOYSA-N
MW179.60 g/mol
LogP0.84
Rot. Bonds3

About ethyl 2-[carbonochloridoyl(methyl)amino]acetate

ethyl 2-[carbonochloridoyl(methyl)amino]acetate (PubChem CID 134306024) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is ethyl 2-[carbonochloridoyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[carbonochloridoyl(methyl)amino]acetate
PubChem CID134306024
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Nameethyl 2-[carbonochloridoyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cl
InChIInChI=1S/C6H10ClNO3/c1-3-11-5(9)4-8(2)6(7)10/h3-4H2,1-2H3
InChIKeyOHGJZKDJUOSKEX-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
ethyl 2-[dimethylcarbamothioyl(methyl)amino]acetate
CID 14401485
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
CID 55207467
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[carbonochloridoyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[carbonochloridoyl(methyl)amino]acetate (CID 134306024) is ethyl 2-[carbonochloridoyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[carbonochloridoyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[carbonochloridoyl(methyl)amino]acetate is CCOC(=O)CN(C)C(=O)Cl.
What is the InChIKey of ethyl 2-[carbonochloridoyl(methyl)amino]acetate?
The InChIKey is OHGJZKDJUOSKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO3/c1-3-11-5(9)4-8(2)6(7)10/h3-4H2,1-2H3.
What are the key properties of ethyl 2-[carbonochloridoyl(methyl)amino]acetate?
ethyl 2-[carbonochloridoyl(methyl)amino]acetate has a molecular weight of 179.60 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[carbonochloridoyl(methyl)amino]acetate is sourced from PubChem (CID 134306024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).