methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

C13H16ClNO4 — CID 62952814

IUPACmethyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO4/c1-18-12(16)8-15(9-13(17)19-2)7-10-4-3-5-11(14)6-10/h3-6H,7-9H2,1-2H3
InChIKeyHGZAXYSIUOWTRD-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.49
Rot. Bonds6

About methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62952814) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62952814
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Namemethyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO4/c1-18-12(16)8-15(9-13(17)19-2)7-10-4-3-5-11(14)6-10/h3-6H,7-9H2,1-2H3
InChIKeyHGZAXYSIUOWTRD-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
CID 142841781
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
3-[(3-chlorophenyl)methyl-(3-methoxypropyl)amino]propanoic acid
CID 82327680
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62952814) is methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1cccc(Cl)c1.
What is the InChIKey of methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is HGZAXYSIUOWTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-18-12(16)8-15(9-13(17)19-2)7-10-4-3-5-11(14)6-10/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 285.73 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62952814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).