CID 58352722

C9H12NO5 — CID 58352722

IUPAC—
SMILESC[CH]N(C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C9H12NO5/c1-4-10(3)8(11)13-5-7-6(2)14-9(12)15-7/h4H,5H2,1-3H3
InChIKeyPUTILCSMBDKYQF-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.29
Rot. Bonds3

About CID 58352722

CID 58352722 (PubChem CID 58352722) has the molecular formula C9H12NO5 and a molecular weight of 214.20 g/mol.

Molecular Properties

Compound NameCID 58352722
PubChem CID58352722
Molecular FormulaC9H12NO5
Molecular Weight214.20 g/mol
Exact Mass214.07
IUPAC Name—
SMILESC[CH]N(C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C9H12NO5/c1-4-10(3)8(11)13-5-7-6(2)14-9(12)15-7/h4H,5H2,1-3H3
InChIKeyPUTILCSMBDKYQF-UHFFFAOYSA-N
XLogP1.29
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58352722?
The IUPAC name of CID 58352722 (CID 58352722) is not available.
What is the SMILES notation for CID 58352722?
The canonical SMILES for CID 58352722 is C[CH]N(C)C(=O)OCc1oc(=O)oc1C.
What is the InChIKey of CID 58352722?
The InChIKey is PUTILCSMBDKYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO5/c1-4-10(3)8(11)13-5-7-6(2)14-9(12)15-7/h4H,5H2,1-3H3.
What are the key properties of CID 58352722?
CID 58352722 has a molecular weight of 214.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58352722 is sourced from PubChem (CID 58352722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).