(2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate

C16H13NO4 — CID 2380057

IUPAC(2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate
SMILESNC(=O)COC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H13NO4/c17-14(18)9-20-16(19)15-10-5-1-3-7-12(10)21-13-8-4-2-6-11(13)15/h1-8,15H,9H2,(H2,17,18)
InChIKeyXWVVZFJDPIQMSR-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.95
Rot. Bonds3

About (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate

(2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate (PubChem CID 2380057) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate
PubChem CID2380057
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate
SMILESNC(=O)COC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H13NO4/c17-14(18)9-20-16(19)15-10-5-1-3-7-12(10)21-13-8-4-2-6-11(13)15/h1-8,15H,9H2,(H2,17,18)
InChIKeyXWVVZFJDPIQMSR-UHFFFAOYSA-N
XLogP1.95
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate (CID 2380057) is (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate is NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate?
The InChIKey is XWVVZFJDPIQMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c17-14(18)9-20-16(19)15-10-5-1-3-7-12(10)21-13-8-4-2-6-11(13)15/h1-8,15H,9H2,(H2,17,18).
What are the key properties of (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate?
(2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate is sourced from PubChem (CID 2380057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).