2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid

C11H15NO5 — CID 43162987

IUPAC2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1=COCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C11H15NO5/c1-11(10(14)15,7-2-3-7)12-9(13)8-6-16-4-5-17-8/h6-7H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPBQZWKQPAUWHCB-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.24
Rot. Bonds4

About 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid

2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid (PubChem CID 43162987) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid
PubChem CID43162987
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1=COCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C11H15NO5/c1-11(10(14)15,7-2-3-7)12-9(13)8-6-16-4-5-17-8/h6-7H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyPBQZWKQPAUWHCB-UHFFFAOYSA-N
XLogP0.24
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid (CID 43162987) is 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid is CC(NC(=O)C1=COCCO1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid?
The InChIKey is PBQZWKQPAUWHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(10(14)15,7-2-3-7)12-9(13)8-6-16-4-5-17-8/h6-7H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid?
2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)propanoic acid is sourced from PubChem (CID 43162987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).