4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

C14H16N2O5 — CID 64892370

IUPAC4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESNC1(C(=O)N2CC(C(=O)O)Oc3ccccc32)CCOC1
InChIInChI=1S/C14H16N2O5/c15-14(5-6-20-8-14)13(19)16-7-11(12(17)18)21-10-4-2-1-3-9(10)16/h1-4,11H,5-8,15H2,(H,17,18)
InChIKeyDDGZDHVTNARDEP-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.02
Rot. Bonds2

About 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (PubChem CID 64892370) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
PubChem CID64892370
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESNC1(C(=O)N2CC(C(=O)O)Oc3ccccc32)CCOC1
InChIInChI=1S/C14H16N2O5/c15-14(5-6-20-8-14)13(19)16-7-11(12(17)18)21-10-4-2-1-3-9(10)16/h1-4,11H,5-8,15H2,(H,17,18)
InChIKeyDDGZDHVTNARDEP-UHFFFAOYSA-N
XLogP-0.02
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The IUPAC name of 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (CID 64892370) is 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
What is the SMILES notation for 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The canonical SMILES for 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is NC1(C(=O)N2CC(C(=O)O)Oc3ccccc32)CCOC1.
What is the InChIKey of 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The InChIKey is DDGZDHVTNARDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-14(5-6-20-8-14)13(19)16-7-11(12(17)18)21-10-4-2-1-3-9(10)16/h1-4,11H,5-8,15H2,(H,17,18).
What are the key properties of 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is sourced from PubChem (CID 64892370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).