diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate

C15H20FN3O5 — CID 146213750

IUPACdiethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CC[C@H](NC(=O)c1ncc(N)cc1F)C(=O)OCC
InChIInChI=1S/C15H20FN3O5/c1-3-23-12(20)6-5-11(15(22)24-4-2)19-14(21)13-10(16)7-9(17)8-18-13/h7-8,11H,3-6,17H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyMFMVEDXMIYWRPA-NSHDSACASA-N
MW341.34 g/mol
LogP0.81
Rot. Bonds8

About diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate

diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate (PubChem CID 146213750) has the molecular formula C15H20FN3O5 and a molecular weight of 341.34 g/mol. Its IUPAC name is diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate.

Molecular Properties

Compound Namediethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate
PubChem CID146213750
Molecular FormulaC15H20FN3O5
Molecular Weight341.34 g/mol
Exact Mass341.14
IUPAC Namediethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CC[C@H](NC(=O)c1ncc(N)cc1F)C(=O)OCC
InChIInChI=1S/C15H20FN3O5/c1-3-23-12(20)6-5-11(15(22)24-4-2)19-14(21)13-10(16)7-9(17)8-18-13/h7-8,11H,3-6,17H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyMFMVEDXMIYWRPA-NSHDSACASA-N
XLogP0.81
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate?
The IUPAC name of diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate (CID 146213750) is diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate.
What is the SMILES notation for diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate?
The canonical SMILES for diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate is CCOC(=O)CC[C@H](NC(=O)c1ncc(N)cc1F)C(=O)OCC.
What is the InChIKey of diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate?
The InChIKey is MFMVEDXMIYWRPA-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN3O5/c1-3-23-12(20)6-5-11(15(22)24-4-2)19-14(21)13-10(16)7-9(17)8-18-13/h7-8,11H,3-6,17H2,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate?
diethyl (2S)-2-[(5-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate has a molecular weight of 341.34 g/mol, XLogP of 0.81, 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-amino-3-fluoropyridine-2-carbonyl)amino]pentanedioate is sourced from PubChem (CID 146213750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).