ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate

C14H19N3O3 — CID 62092277

IUPACethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate
SMILESCCOC(=O)c1cc(NC2CCCNC2=O)ccc1N
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)10-8-9(5-6-11(10)15)17-12-4-3-7-16-13(12)18/h5-6,8,12,17H,2-4,7,15H2,1H3,(H,16,18)
InChIKeyGZMRXERDNQOZSY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.14
Rot. Bonds4

About ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate

ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate (PubChem CID 62092277) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate
PubChem CID62092277
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate
SMILESCCOC(=O)c1cc(NC2CCCNC2=O)ccc1N
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)10-8-9(5-6-11(10)15)17-12-4-3-7-16-13(12)18/h5-6,8,12,17H,2-4,7,15H2,1H3,(H,16,18)
InChIKeyGZMRXERDNQOZSY-UHFFFAOYSA-N
XLogP1.14
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-3-chloro-2-[(2-oxopiperidin-3-yl)amino]benzoate
CID 107195593
ethyl 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 106197604
ethyl 2-amino-5-[(2-ethylcyclohexyl)amino]benzoate
CID 63423479
methyl 2-bromo-5-[[(3S)-2-oxopyrrolidin-3-yl]amino]benzoate
CID 97124059
ethyl 2-amino-5-[(1-methylpyrrolidin-3-yl)amino]benzoate
CID 61465111
ethyl 2-amino-5-(thiolan-2-ylmethylamino)benzoate
CID 80586072
ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305535
ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377250
N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide
CID 25344003
ethyl 2-amino-5-(oxolan-2-ylmethylamino)benzoate
CID 61305308
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 55033632
ethyl 2-amino-5-[(1,1-dioxothiolan-3-yl)methylamino]benzoate
CID 62132540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate?
The IUPAC name of ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate (CID 62092277) is ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate.
What is the SMILES notation for ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate?
The canonical SMILES for ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate is CCOC(=O)c1cc(NC2CCCNC2=O)ccc1N.
What is the InChIKey of ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate?
The InChIKey is GZMRXERDNQOZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-14(19)10-8-9(5-6-11(10)15)17-12-4-3-7-16-13(12)18/h5-6,8,12,17H,2-4,7,15H2,1H3,(H,16,18).
What are the key properties of ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate?
ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate has a molecular weight of 277.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate is sourced from PubChem (CID 62092277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).