diethyl 2-(pyridin-2-ylamino)butanedioate

C13H18N2O4 — CID 177223404

IUPACdiethyl 2-(pyridin-2-ylamino)butanedioate
SMILESCCOC(=O)CC(Nc1ccccn1)C(=O)OCC
InChIInChI=1S/C13H18N2O4/c1-3-18-12(16)9-10(13(17)19-4-2)15-11-7-5-6-8-14-11/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyJEJPZCQAZNLINN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.38
Rot. Bonds7

About diethyl 2-(pyridin-2-ylamino)butanedioate

diethyl 2-(pyridin-2-ylamino)butanedioate (PubChem CID 177223404) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is diethyl 2-(pyridin-2-ylamino)butanedioate.

Molecular Properties

Compound Namediethyl 2-(pyridin-2-ylamino)butanedioate
PubChem CID177223404
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namediethyl 2-(pyridin-2-ylamino)butanedioate
SMILESCCOC(=O)CC(Nc1ccccn1)C(=O)OCC
InChIInChI=1S/C13H18N2O4/c1-3-18-12(16)9-10(13(17)19-4-2)15-11-7-5-6-8-14-11/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyJEJPZCQAZNLINN-UHFFFAOYSA-N
XLogP1.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
diethyl (2S)-2-(tritylamino)butanedioate
CID 140997508
3-(pyridin-2-ylamino)hexanoic acid
CID 121217127
ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate
CID 10979388
diethyl (2S)-2-(benzylamino)butanedioate
CID 124630136
(2R)-2-anilino-4-ethoxy-4-oxobutanoic acid
CID 70072361
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
1-N'-pyridin-2-ylbutane-1,1-diamine
CID 22118535
N-methyl-3-(pyridin-2-ylamino)butanamide
CID 126986948
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
CID 132549421
ethyl (3S)-3-methyl-5-methylimino-5-pyridin-2-ylpentanoate
CID 166864281

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(pyridin-2-ylamino)butanedioate?
The IUPAC name of diethyl 2-(pyridin-2-ylamino)butanedioate (CID 177223404) is diethyl 2-(pyridin-2-ylamino)butanedioate.
What is the SMILES notation for diethyl 2-(pyridin-2-ylamino)butanedioate?
The canonical SMILES for diethyl 2-(pyridin-2-ylamino)butanedioate is CCOC(=O)CC(Nc1ccccn1)C(=O)OCC.
What is the InChIKey of diethyl 2-(pyridin-2-ylamino)butanedioate?
The InChIKey is JEJPZCQAZNLINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-12(16)9-10(13(17)19-4-2)15-11-7-5-6-8-14-11/h5-8,10H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of diethyl 2-(pyridin-2-ylamino)butanedioate?
diethyl 2-(pyridin-2-ylamino)butanedioate has a molecular weight of 266.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(pyridin-2-ylamino)butanedioate is sourced from PubChem (CID 177223404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).