methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate

C11H12ClNO4 — CID 43404773

IUPACmethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COc1ccccc1Cl
InChIInChI=1S/C11H12ClNO4/c1-16-11(15)6-13-10(14)7-17-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyCSIQAFDNLGGPTQ-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.01
Rot. Bonds5

About methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate

methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate (PubChem CID 43404773) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
PubChem CID43404773
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Namemethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COc1ccccc1Cl
InChIInChI=1S/C11H12ClNO4/c1-16-11(15)6-13-10(14)7-17-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyCSIQAFDNLGGPTQ-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914944
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601129
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate (CID 43404773) is methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate is COC(=O)CNC(=O)COc1ccccc1Cl.
What is the InChIKey of methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate?
The InChIKey is CSIQAFDNLGGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-16-11(15)6-13-10(14)7-17-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate?
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate has a molecular weight of 257.67 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate is sourced from PubChem (CID 43404773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).