diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate

C14H20N2O5S — CID 10087888

IUPACdiethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccc(N)s1)C(=O)OCC
InChIInChI=1S/C14H20N2O5S/c1-3-20-12(17)8-5-9(14(19)21-4-2)16-13(18)10-6-7-11(15)22-10/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyPZNJQDQIOYWQME-VIFPVBQESA-N
MW328.39 g/mol
LogP1.34
Rot. Bonds8

About diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate

diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate (PubChem CID 10087888) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate.

Molecular Properties

Compound Namediethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate
PubChem CID10087888
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Namediethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccc(N)s1)C(=O)OCC
InChIInChI=1S/C14H20N2O5S/c1-3-20-12(17)8-5-9(14(19)21-4-2)16-13(18)10-6-7-11(15)22-10/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyPZNJQDQIOYWQME-VIFPVBQESA-N
XLogP1.34
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 2-[(5-bromothiophene-2-carbonyl)amino]pentanedioate
CID 75164214
diethyl 2-[[5-(methylamino)thiophene-2-carbonyl]amino]pentanedioate
CID 14842194
diethyl (2S)-2-[(4-amino-3-methylbenzoyl)amino]pentanedioate
CID 14986741
diethyl (2R)-2-[(2-bromo-1,3-thiazole-4-carbonyl)amino]pentanedioate
CID 70110304
diethyl (2S)-2-[[5-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]thiophene-2-carbonyl]amino]pentanedioate
CID 15341974
diethyl (2S)-2-[(4-formylbenzoyl)amino]pentanedioate
CID 13345227
diethyl (2S)-2-[[2-(methylamino)benzoyl]amino]pentanedioate
CID 70540033
diethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]pentanedioate
CID 67926864
diethyl (2S)-2-[[5-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propylamino]thiophene-2-carbonyl]amino]pentanedioate
CID 135485646
diethyl 2-[[4-[(4-methylbenzoyl)amino]benzoyl]amino]pentanedioate
CID 3495215
diethyl (2S)-2-[[3-methyl-5-(3-sulfanylpropyl)thiophene-2-carbonyl]amino]pentanedioate
CID 10716065
diethyl (2S)-2-[[4-(2-fluoroethylamino)benzoyl]amino]pentanedioate
CID 12919922

Frequently Asked Questions

What is the IUPAC name of diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate?
The IUPAC name of diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate (CID 10087888) is diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate.
What is the SMILES notation for diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate?
The canonical SMILES for diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate is CCOC(=O)CC[C@H](NC(=O)c1ccc(N)s1)C(=O)OCC.
What is the InChIKey of diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate?
The InChIKey is PZNJQDQIOYWQME-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-20-12(17)8-5-9(14(19)21-4-2)16-13(18)10-6-7-11(15)22-10/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate?
diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate has a molecular weight of 328.39 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S)-2-[(5-aminothiophene-2-carbonyl)amino]pentanedioate is sourced from PubChem (CID 10087888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).