1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid

C11H15NO5 — CID 43151431

IUPAC1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1=COCCO1
InChIInChI=1S/C11H15NO5/c13-9(8-7-16-5-6-17-8)12-11(10(14)15)3-1-2-4-11/h7H,1-6H2,(H,12,13)(H,14,15)
InChIKeyHNVMHVIALAKQFR-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.39
Rot. Bonds3

About 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid

1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 43151431) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID43151431
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1=COCCO1
InChIInChI=1S/C11H15NO5/c13-9(8-7-16-5-6-17-8)12-11(10(14)15)3-1-2-4-11/h7H,1-6H2,(H,12,13)(H,14,15)
InChIKeyHNVMHVIALAKQFR-UHFFFAOYSA-N
XLogP0.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid (CID 43151431) is 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)C1=COCCO1.
What is the InChIKey of 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HNVMHVIALAKQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c13-9(8-7-16-5-6-17-8)12-11(10(14)15)3-1-2-4-11/h7H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid?
1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-dioxine-5-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43151431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).