2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid

C16H24N2O5 — CID 3125542

IUPAC2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid
SMILESCC(C)CCC(C(=O)O)C(C)CC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C16H24N2O5/c1-10(2)6-7-12(16(21)22)11(3)9-14(19)17-18-15(20)13-5-4-8-23-13/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyRXZMAFRMWFUFHL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.20
Rot. Bonds8

About 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid

2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid (PubChem CID 3125542) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid.

Molecular Properties

Compound Name2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid
PubChem CID3125542
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid
SMILESCC(C)CCC(C(=O)O)C(C)CC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C16H24N2O5/c1-10(2)6-7-12(16(21)22)11(3)9-14(19)17-18-15(20)13-5-4-8-23-13/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyRXZMAFRMWFUFHL-UHFFFAOYSA-N
XLogP2.20
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid?
The IUPAC name of 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid (CID 3125542) is 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid.
What is the SMILES notation for 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid?
The canonical SMILES for 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid is CC(C)CCC(C(=O)O)C(C)CC(=O)NNC(=O)c1ccco1.
What is the InChIKey of 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid?
The InChIKey is RXZMAFRMWFUFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10(2)6-7-12(16(21)22)11(3)9-14(19)17-18-15(20)13-5-4-8-23-13/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid?
2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid has a molecular weight of 324.38 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(furan-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoic acid is sourced from PubChem (CID 3125542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).