ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate

C14H18N2O3 — CID 57185180

IUPACethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
SMILESCCOC(=O)c1cc(N)ccc1N1CCCCC1=O
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)11-9-10(15)6-7-12(11)16-8-4-3-5-13(16)17/h6-7,9H,2-5,8,15H2,1H3
InChIKeyJJGXEDPILLDDEW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.96
Rot. Bonds3

About ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate

ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate (PubChem CID 57185180) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
PubChem CID57185180
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
SMILESCCOC(=O)c1cc(N)ccc1N1CCCCC1=O
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)11-9-10(15)6-7-12(11)16-8-4-3-5-13(16)17/h6-7,9H,2-5,8,15H2,1H3
InChIKeyJJGXEDPILLDDEW-UHFFFAOYSA-N
XLogP1.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-(2-oxopyrrolidin-1-yl)benzoate
CID 57245785
5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
CID 53419442
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
ethyl 5-amino-2-(4-hydroxy-4-methylazepan-1-yl)benzoate
CID 107407268
ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate
CID 61305515
ethyl 5-amino-2-(2-pyrrolidin-1-ylethylamino)benzoate
CID 62642562
5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
CID 115411659
ethyl 5-amino-2-(7,7-dimethyl-1,4-thiazepan-4-yl)benzoate
CID 107458174
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133484
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate?
The IUPAC name of ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate (CID 57185180) is ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate is CCOC(=O)c1cc(N)ccc1N1CCCCC1=O.
What is the InChIKey of ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate?
The InChIKey is JJGXEDPILLDDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)11-9-10(15)6-7-12(11)16-8-4-3-5-13(16)17/h6-7,9H,2-5,8,15H2,1H3.
What are the key properties of ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate?
ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate has a molecular weight of 262.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 57185180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).