furan-2-yl (2R)-2,5-diaminopentanoate

C9H14N2O3 — CID 90119495

IUPACfuran-2-yl (2R)-2,5-diaminopentanoate
SMILESNCCC[C@@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C9H14N2O3/c10-5-1-3-7(11)9(12)14-8-4-2-6-13-8/h2,4,6-7H,1,3,5,10-11H2/t7-/m1/s1
InChIKeySXAFKEHULOORKW-SSDOTTSWSA-N
MW198.22 g/mol
LogP0.25
Rot. Bonds5

About furan-2-yl (2R)-2,5-diaminopentanoate

furan-2-yl (2R)-2,5-diaminopentanoate (PubChem CID 90119495) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is furan-2-yl (2R)-2,5-diaminopentanoate.

Molecular Properties

Compound Namefuran-2-yl (2R)-2,5-diaminopentanoate
PubChem CID90119495
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namefuran-2-yl (2R)-2,5-diaminopentanoate
SMILESNCCC[C@@H](N)C(=O)Oc1ccco1
InChIInChI=1S/C9H14N2O3/c10-5-1-3-7(11)9(12)14-8-4-2-6-13-8/h2,4,6-7H,1,3,5,10-11H2/t7-/m1/s1
InChIKeySXAFKEHULOORKW-SSDOTTSWSA-N
XLogP0.25
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2R)-2,5-diaminopentanoate?
The IUPAC name of furan-2-yl (2R)-2,5-diaminopentanoate (CID 90119495) is furan-2-yl (2R)-2,5-diaminopentanoate.
What is the SMILES notation for furan-2-yl (2R)-2,5-diaminopentanoate?
The canonical SMILES for furan-2-yl (2R)-2,5-diaminopentanoate is NCCC[C@@H](N)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl (2R)-2,5-diaminopentanoate?
The InChIKey is SXAFKEHULOORKW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-5-1-3-7(11)9(12)14-8-4-2-6-13-8/h2,4,6-7H,1,3,5,10-11H2/t7-/m1/s1.
What are the key properties of furan-2-yl (2R)-2,5-diaminopentanoate?
furan-2-yl (2R)-2,5-diaminopentanoate has a molecular weight of 198.22 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl (2R)-2,5-diaminopentanoate is sourced from PubChem (CID 90119495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).