2-(N-(2-methoxy-2-oxoethyl)anilino)acetate

C11H12NO4- — CID 58908238

IUPAC2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
SMILESCOC(=O)CN(CC(=O)[O-])c1ccccc1
InChIInChI=1S/C11H13NO4/c1-16-11(15)8-12(7-10(13)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)/p-1
InChIKeyYUPVMNRPEYGFCU-UHFFFAOYSA-M
MW222.22 g/mol
LogP-0.58
Rot. Bonds5

About 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate

2-(N-(2-methoxy-2-oxoethyl)anilino)acetate (PubChem CID 58908238) has the molecular formula C11H12NO4- and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate.

Molecular Properties

Compound Name2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
PubChem CID58908238
Molecular FormulaC11H12NO4-
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
SMILESCOC(=O)CN(CC(=O)[O-])c1ccccc1
InChIInChI=1S/C11H13NO4/c1-16-11(15)8-12(7-10(13)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)/p-1
InChIKeyYUPVMNRPEYGFCU-UHFFFAOYSA-M
XLogP-0.58
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
CID 174634423
2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
CID 59772153
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
methyl 2-(N-(4-nitrophenyl)anilino)acetate
CID 54362794
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
methyl 2-(4-nitro-N-propylanilino)acetate
CID 62005200
2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid
CID 59772093

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
The IUPAC name of 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate (CID 58908238) is 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate.
What is the SMILES notation for 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
The canonical SMILES for 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate is COC(=O)CN(CC(=O)[O-])c1ccccc1.
What is the InChIKey of 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
The InChIKey is YUPVMNRPEYGFCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO4/c1-16-11(15)8-12(7-10(13)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)/p-1.
What are the key properties of 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
2-(N-(2-methoxy-2-oxoethyl)anilino)acetate has a molecular weight of 222.22 g/mol, XLogP of -0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate is sourced from PubChem (CID 58908238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).