2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid

C10H11NO4 — CID 62697228

IUPAC2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccco1
InChIInChI=1S/C10H11NO4/c12-9(7-2-1-5-15-7)11-8(10(13)14)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,11,12)(H,13,14)
InChIKeyKNDLLIJSLKQOTG-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.87
Rot. Bonds4

About 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid

2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid (PubChem CID 62697228) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
PubChem CID62697228
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccco1
InChIInChI=1S/C10H11NO4/c12-9(7-2-1-5-15-7)11-8(10(13)14)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,11,12)(H,13,14)
InChIKeyKNDLLIJSLKQOTG-UHFFFAOYSA-N
XLogP0.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid (CID 62697228) is 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CC1)c1ccco1.
What is the InChIKey of 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid?
The InChIKey is KNDLLIJSLKQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9(7-2-1-5-15-7)11-8(10(13)14)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid?
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid is sourced from PubChem (CID 62697228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).