CID 58544114

C6H8NO3 — CID 58544114

IUPAC—
SMILES[CH2]C1=NC(C(=O)OC)CO1
InChIInChI=1S/C6H8NO3/c1-4-7-5(3-10-4)6(8)9-2/h5H,1,3H2,2H3
InChIKeyDZMAIPXHHUWHEE-UHFFFAOYSA-N
MW142.13 g/mol
LogP-0.21
Rot. Bonds1

About CID 58544114

CID 58544114 (PubChem CID 58544114) has the molecular formula C6H8NO3 and a molecular weight of 142.13 g/mol.

Molecular Properties

Compound NameCID 58544114
PubChem CID58544114
Molecular FormulaC6H8NO3
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name—
SMILES[CH2]C1=NC(C(=O)OC)CO1
InChIInChI=1S/C6H8NO3/c1-4-7-5(3-10-4)6(8)9-2/h5H,1,3H2,2H3
InChIKeyDZMAIPXHHUWHEE-UHFFFAOYSA-N
XLogP-0.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58544114?
The IUPAC name of CID 58544114 (CID 58544114) is not available.
What is the SMILES notation for CID 58544114?
The canonical SMILES for CID 58544114 is [CH2]C1=NC(C(=O)OC)CO1.
What is the InChIKey of CID 58544114?
The InChIKey is DZMAIPXHHUWHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3/c1-4-7-5(3-10-4)6(8)9-2/h5H,1,3H2,2H3.
What are the key properties of CID 58544114?
CID 58544114 has a molecular weight of 142.13 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544114 is sourced from PubChem (CID 58544114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).