CID 59919151

C8H14NO4 — CID 59919151

IUPAC—
SMILESCC1(C)COC(C)(CC(=O)O)N1[O]
InChIInChI=1S/C8H14NO4/c1-7(2)5-13-8(3,9(7)12)4-6(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKeyFKPSLKOUVRIDKI-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.63
Rot. Bonds2

About CID 59919151

CID 59919151 (PubChem CID 59919151) has the molecular formula C8H14NO4 and a molecular weight of 188.20 g/mol.

Molecular Properties

Compound NameCID 59919151
PubChem CID59919151
Molecular FormulaC8H14NO4
Molecular Weight188.20 g/mol
Exact Mass188.09
IUPAC Name—
SMILESCC1(C)COC(C)(CC(=O)O)N1[O]
InChIInChI=1S/C8H14NO4/c1-7(2)5-13-8(3,9(7)12)4-6(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKeyFKPSLKOUVRIDKI-UHFFFAOYSA-N
XLogP0.63
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59919151?
The IUPAC name of CID 59919151 (CID 59919151) is not available.
What is the SMILES notation for CID 59919151?
The canonical SMILES for CID 59919151 is CC1(C)COC(C)(CC(=O)O)N1[O].
What is the InChIKey of CID 59919151?
The InChIKey is FKPSLKOUVRIDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO4/c1-7(2)5-13-8(3,9(7)12)4-6(10)11/h4-5H2,1-3H3,(H,10,11).
What are the key properties of CID 59919151?
CID 59919151 has a molecular weight of 188.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59919151 is sourced from PubChem (CID 59919151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).