CID 132992098

C14H18NO9 — CID 132992098

IUPAC—
SMILESCOC(=O)C[C@]1(C(=O)OC)C=C[C@](CC(=O)OC)(C(=O)OC)N1[O]
InChIInChI=1S/C14H18NO9/c1-21-9(16)7-13(11(18)23-3)5-6-14(15(13)20,12(19)24-4)8-10(17)22-2/h5-6H,7-8H2,1-4H3/t13-,14-/m0/s1
InChIKeyYQHPJPZRIPMORE-KBPBESRZSA-N
MW344.30 g/mol
LogP-0.85
Rot. Bonds6

About CID 132992098

CID 132992098 (PubChem CID 132992098) has the molecular formula C14H18NO9 and a molecular weight of 344.30 g/mol.

Molecular Properties

Compound NameCID 132992098
PubChem CID132992098
Molecular FormulaC14H18NO9
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name—
SMILESCOC(=O)C[C@]1(C(=O)OC)C=C[C@](CC(=O)OC)(C(=O)OC)N1[O]
InChIInChI=1S/C14H18NO9/c1-21-9(16)7-13(11(18)23-3)5-6-14(15(13)20,12(19)24-4)8-10(17)22-2/h5-6H,7-8H2,1-4H3/t13-,14-/m0/s1
InChIKeyYQHPJPZRIPMORE-KBPBESRZSA-N
XLogP-0.85
TPSA128.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 132992098?
The IUPAC name of CID 132992098 (CID 132992098) is not available.
What is the SMILES notation for CID 132992098?
The canonical SMILES for CID 132992098 is COC(=O)C[C@]1(C(=O)OC)C=C[C@](CC(=O)OC)(C(=O)OC)N1[O].
What is the InChIKey of CID 132992098?
The InChIKey is YQHPJPZRIPMORE-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18NO9/c1-21-9(16)7-13(11(18)23-3)5-6-14(15(13)20,12(19)24-4)8-10(17)22-2/h5-6H,7-8H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of CID 132992098?
CID 132992098 has a molecular weight of 344.30 g/mol, XLogP of -0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132992098 is sourced from PubChem (CID 132992098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).