furan-2-yl (2S)-2,4-diamino-4-oxobutanoate

C8H10N2O4 — CID 90119507

IUPACfuran-2-yl (2S)-2,4-diamino-4-oxobutanoate
SMILESNC(=O)C[C@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C8H10N2O4/c9-5(4-6(10)11)8(12)14-7-2-1-3-13-7/h1-3,5H,4,9H2,(H2,10,11)/t5-/m0/s1
InChIKeyHJYIZRGYKUQQGQ-YFKPBYRVSA-N
MW198.18 g/mol
LogP-0.61
Rot. Bonds4

About furan-2-yl (2S)-2,4-diamino-4-oxobutanoate

furan-2-yl (2S)-2,4-diamino-4-oxobutanoate (PubChem CID 90119507) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is furan-2-yl (2S)-2,4-diamino-4-oxobutanoate.

Molecular Properties

Compound Namefuran-2-yl (2S)-2,4-diamino-4-oxobutanoate
PubChem CID90119507
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namefuran-2-yl (2S)-2,4-diamino-4-oxobutanoate
SMILESNC(=O)C[C@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C8H10N2O4/c9-5(4-6(10)11)8(12)14-7-2-1-3-13-7/h1-3,5H,4,9H2,(H2,10,11)/t5-/m0/s1
InChIKeyHJYIZRGYKUQQGQ-YFKPBYRVSA-N
XLogP-0.61
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2S)-2,4-diamino-4-oxobutanoate?
The IUPAC name of furan-2-yl (2S)-2,4-diamino-4-oxobutanoate (CID 90119507) is furan-2-yl (2S)-2,4-diamino-4-oxobutanoate.
What is the SMILES notation for furan-2-yl (2S)-2,4-diamino-4-oxobutanoate?
The canonical SMILES for furan-2-yl (2S)-2,4-diamino-4-oxobutanoate is NC(=O)C[C@H](N)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl (2S)-2,4-diamino-4-oxobutanoate?
The InChIKey is HJYIZRGYKUQQGQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-5(4-6(10)11)8(12)14-7-2-1-3-13-7/h1-3,5H,4,9H2,(H2,10,11)/t5-/m0/s1.
What are the key properties of furan-2-yl (2S)-2,4-diamino-4-oxobutanoate?
furan-2-yl (2S)-2,4-diamino-4-oxobutanoate has a molecular weight of 198.18 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl (2S)-2,4-diamino-4-oxobutanoate is sourced from PubChem (CID 90119507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).