furan-2,3-dicarboxylic acid;pentane-1,1-diamine

C11H18N2O5 — CID 161441475

IUPACfuran-2,3-dicarboxylic acid;pentane-1,1-diamine
SMILESCCCCC(N)N.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C5H14N2/c7-5(8)3-1-2-11-4(3)6(9)10;1-2-3-4-5(6)7/h1-2H,(H,7,8)(H,9,10);5H,2-4,6-7H2,1H3
InChIKeyVZICTSYKUYUVGA-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.10
Rot. Bonds5

About furan-2,3-dicarboxylic acid;pentane-1,1-diamine

furan-2,3-dicarboxylic acid;pentane-1,1-diamine (PubChem CID 161441475) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is furan-2,3-dicarboxylic acid;pentane-1,1-diamine.

Molecular Properties

Compound Namefuran-2,3-dicarboxylic acid;pentane-1,1-diamine
PubChem CID161441475
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namefuran-2,3-dicarboxylic acid;pentane-1,1-diamine
SMILESCCCCC(N)N.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C5H14N2/c7-5(8)3-1-2-11-4(3)6(9)10;1-2-3-4-5(6)7/h1-2H,(H,7,8)(H,9,10);5H,2-4,6-7H2,1H3
InChIKeyVZICTSYKUYUVGA-UHFFFAOYSA-N
XLogP1.10
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2,3-dicarboxylic acid;pentane-1,1-diamine?
The IUPAC name of furan-2,3-dicarboxylic acid;pentane-1,1-diamine (CID 161441475) is furan-2,3-dicarboxylic acid;pentane-1,1-diamine.
What is the SMILES notation for furan-2,3-dicarboxylic acid;pentane-1,1-diamine?
The canonical SMILES for furan-2,3-dicarboxylic acid;pentane-1,1-diamine is CCCCC(N)N.O=C(O)c1ccoc1C(=O)O.
What is the InChIKey of furan-2,3-dicarboxylic acid;pentane-1,1-diamine?
The InChIKey is VZICTSYKUYUVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.C5H14N2/c7-5(8)3-1-2-11-4(3)6(9)10;1-2-3-4-5(6)7/h1-2H,(H,7,8)(H,9,10);5H,2-4,6-7H2,1H3.
What are the key properties of furan-2,3-dicarboxylic acid;pentane-1,1-diamine?
furan-2,3-dicarboxylic acid;pentane-1,1-diamine has a molecular weight of 258.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,3-dicarboxylic acid;pentane-1,1-diamine is sourced from PubChem (CID 161441475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).