methyl 2-[(2-chloroacetyl)amino]acetate

C5H8ClNO3 — CID 2387220

IUPACmethyl 2-[(2-chloroacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CCl
InChIInChI=1S/C5H8ClNO3/c1-10-5(9)3-7-4(8)2-6/h2-3H2,1H3,(H,7,8)
InChIKeyFCYYBUGNYDVXCX-UHFFFAOYSA-N
MW165.58 g/mol
LogP-0.49
Rot. Bonds3

About methyl 2-[(2-chloroacetyl)amino]acetate

methyl 2-[(2-chloroacetyl)amino]acetate (PubChem CID 2387220) has the molecular formula C5H8ClNO3 and a molecular weight of 165.58 g/mol. Its IUPAC name is methyl 2-[(2-chloroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloroacetyl)amino]acetate
PubChem CID2387220
Molecular FormulaC5H8ClNO3
Molecular Weight165.58 g/mol
Exact Mass165.02
IUPAC Namemethyl 2-[(2-chloroacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CCl
InChIInChI=1S/C5H8ClNO3/c1-10-5(9)3-7-4(8)2-6/h2-3H2,1H3,(H,7,8)
InChIKeyFCYYBUGNYDVXCX-UHFFFAOYSA-N
XLogP-0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Chloroacetylglycine
CID 233485
Methyl 2-acetamidoacetate
CID 517966
Methyl 2-(acetylamino)-3-chloropropionate
CID 287006
Tert-butyl 2-(2-chloroacetamido)acetate
CID 262730
Ethyl 2-(2-chloroacetamido)acetate
CID 179518
2-chloro-N-(2-methoxyethyl)acetamide
CID 2386048
2-(2-Chloroacetamido)ethyl 2-chloroacetate
CID 4658327
Methyl 2-(3-chloropropanamido)acetate
CID 16787366
Methyl 2-[(2,2-dichloroacetyl)amino]acetate
CID 3338030
2-Chloro-N-(2-ethoxyethyl)acetamide
CID 17876165
Ethyl 2-(2-chloroacetylamino)propionate
CID 13059636
Methyl 2-(acetylamino)-3-chloropropionate, (S)-
CID 36691031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloroacetyl)amino]acetate?
The IUPAC name of methyl 2-[(2-chloroacetyl)amino]acetate (CID 2387220) is methyl 2-[(2-chloroacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-chloroacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-chloroacetyl)amino]acetate is COC(=O)CNC(=O)CCl.
What is the InChIKey of methyl 2-[(2-chloroacetyl)amino]acetate?
The InChIKey is FCYYBUGNYDVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO3/c1-10-5(9)3-7-4(8)2-6/h2-3H2,1H3,(H,7,8).
What are the key properties of methyl 2-[(2-chloroacetyl)amino]acetate?
methyl 2-[(2-chloroacetyl)amino]acetate has a molecular weight of 165.58 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloroacetyl)amino]acetate is sourced from PubChem (CID 2387220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).