CID 58544150

C6H8NO3 — CID 58544150

IUPAC—
SMILES[CH2]N1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C6H8NO3/c1-6(2)4(8)7(3)5(9)10-6/h3H2,1-2H3
InChIKeyWTIUEZIXSAMVQE-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.54
Rot. Bonds

About CID 58544150

CID 58544150 (PubChem CID 58544150) has the molecular formula C6H8NO3 and a molecular weight of 142.13 g/mol.

Molecular Properties

Compound NameCID 58544150
PubChem CID58544150
Molecular FormulaC6H8NO3
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name—
SMILES[CH2]N1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C6H8NO3/c1-6(2)4(8)7(3)5(9)10-6/h3H2,1-2H3
InChIKeyWTIUEZIXSAMVQE-UHFFFAOYSA-N
XLogP0.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58544150?
The IUPAC name of CID 58544150 (CID 58544150) is not available.
What is the SMILES notation for CID 58544150?
The canonical SMILES for CID 58544150 is [CH2]N1C(=O)OC(C)(C)C1=O.
What is the InChIKey of CID 58544150?
The InChIKey is WTIUEZIXSAMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3/c1-6(2)4(8)7(3)5(9)10-6/h3H2,1-2H3.
What are the key properties of CID 58544150?
CID 58544150 has a molecular weight of 142.13 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544150 is sourced from PubChem (CID 58544150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).