CID 10691592

C13H16NO5 — CID 10691592

IUPAC—
SMILESCOC(=O)[C@@H]1[C@@H](C(=O)OC)ON(C)[C@@H]1[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H16NO5/c1-14-10(8-6-4-5-7-8)9(12(15)17-2)11(19-14)13(16)18-3/h4-7,9-11H,1-3H3/t9-,10+,11-/m0/s1
InChIKeyYSCLNKVEGQQUGE-AXFHLTTASA-N
MW266.27 g/mol
LogP-0.03
Rot. Bonds3

About CID 10691592

CID 10691592 (PubChem CID 10691592) has the molecular formula C13H16NO5 and a molecular weight of 266.27 g/mol.

Molecular Properties

Compound NameCID 10691592
PubChem CID10691592
Molecular FormulaC13H16NO5
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name—
SMILESCOC(=O)[C@@H]1[C@@H](C(=O)OC)ON(C)[C@@H]1[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H16NO5/c1-14-10(8-6-4-5-7-8)9(12(15)17-2)11(19-14)13(16)18-3/h4-7,9-11H,1-3H3/t9-,10+,11-/m0/s1
InChIKeyYSCLNKVEGQQUGE-AXFHLTTASA-N
XLogP-0.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 10691592?
The IUPAC name of CID 10691592 (CID 10691592) is not available.
What is the SMILES notation for CID 10691592?
The canonical SMILES for CID 10691592 is COC(=O)[C@@H]1[C@@H](C(=O)OC)ON(C)[C@@H]1[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 10691592?
The InChIKey is YSCLNKVEGQQUGE-AXFHLTTASA-N. The full InChI is InChI=1S/C13H16NO5/c1-14-10(8-6-4-5-7-8)9(12(15)17-2)11(19-14)13(16)18-3/h4-7,9-11H,1-3H3/t9-,10+,11-/m0/s1.
What are the key properties of CID 10691592?
CID 10691592 has a molecular weight of 266.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10691592 is sourced from PubChem (CID 10691592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).