diethyl 2-anilinopentanedioate

C15H21NO4 — CID 138963632

IUPACdiethyl 2-anilinopentanedioate
SMILESCCOC(=O)CCC(Nc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)11-10-13(15(18)20-4-2)16-12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3
InChIKeyZLYZQYWANUNTJX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.37
Rot. Bonds8

About diethyl 2-anilinopentanedioate

diethyl 2-anilinopentanedioate (PubChem CID 138963632) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is diethyl 2-anilinopentanedioate.

Molecular Properties

Compound Namediethyl 2-anilinopentanedioate
PubChem CID138963632
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namediethyl 2-anilinopentanedioate
SMILESCCOC(=O)CCC(Nc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)11-10-13(15(18)20-4-2)16-12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3
InChIKeyZLYZQYWANUNTJX-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-anilino-5-ethoxy-5-oxopentanoic acid
CID 70498709
ethyl (2R)-2-anilinotridecanoate
CID 155931058
(2R)-2-anilino-4-ethoxy-4-oxobutanoic acid
CID 70072361
ethyl (2S)-2-anilino-4-(diethylamino)butanoate
CID 125470066
ethyl 3-anilinohexanoate
CID 10354056
methyl 2-anilinopentanoate
CID 60992581
ethyl (3S)-3-anilinopentanoate
CID 101375253
diethyl 2-(3-phenylsulfanylpropanoylamino)pentanedioate
CID 45355295
methyl 2-anilinooctanoate
CID 54889679
ethyl 3-anilinopropanoate
CID 10910393
(2S)-2-anilinopentanoic acid
CID 22847649
diethyl (2S)-2-[[2-(methylamino)benzoyl]amino]pentanedioate
CID 70540033

Frequently Asked Questions

What is the IUPAC name of diethyl 2-anilinopentanedioate?
The IUPAC name of diethyl 2-anilinopentanedioate (CID 138963632) is diethyl 2-anilinopentanedioate.
What is the SMILES notation for diethyl 2-anilinopentanedioate?
The canonical SMILES for diethyl 2-anilinopentanedioate is CCOC(=O)CCC(Nc1ccccc1)C(=O)OCC.
What is the InChIKey of diethyl 2-anilinopentanedioate?
The InChIKey is ZLYZQYWANUNTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-14(17)11-10-13(15(18)20-4-2)16-12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3.
What are the key properties of diethyl 2-anilinopentanedioate?
diethyl 2-anilinopentanedioate has a molecular weight of 279.34 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-anilinopentanedioate is sourced from PubChem (CID 138963632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).