2-acetamido-2-(furan-2-ylmethyl)propanedioic acid

C10H11NO6 — CID 14519816

IUPAC2-acetamido-2-(furan-2-ylmethyl)propanedioic acid
SMILESCC(=O)NC(Cc1ccco1)(C(=O)O)C(=O)O
InChIInChI=1S/C10H11NO6/c1-6(12)11-10(8(13)14,9(15)16)5-7-3-2-4-17-7/h2-4H,5H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyVVJUCKGQQYUTEX-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.13
Rot. Bonds5

About 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid

2-acetamido-2-(furan-2-ylmethyl)propanedioic acid (PubChem CID 14519816) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid.

Molecular Properties

Compound Name2-acetamido-2-(furan-2-ylmethyl)propanedioic acid
PubChem CID14519816
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name2-acetamido-2-(furan-2-ylmethyl)propanedioic acid
SMILESCC(=O)NC(Cc1ccco1)(C(=O)O)C(=O)O
InChIInChI=1S/C10H11NO6/c1-6(12)11-10(8(13)14,9(15)16)5-7-3-2-4-17-7/h2-4H,5H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyVVJUCKGQQYUTEX-UHFFFAOYSA-N
XLogP-0.13
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid?
The IUPAC name of 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid (CID 14519816) is 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid.
What is the SMILES notation for 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid?
The canonical SMILES for 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid is CC(=O)NC(Cc1ccco1)(C(=O)O)C(=O)O.
What is the InChIKey of 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid?
The InChIKey is VVJUCKGQQYUTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-6(12)11-10(8(13)14,9(15)16)5-7-3-2-4-17-7/h2-4H,5H2,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid?
2-acetamido-2-(furan-2-ylmethyl)propanedioic acid has a molecular weight of 241.20 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(furan-2-ylmethyl)propanedioic acid is sourced from PubChem (CID 14519816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).