CID 102384359

C8H16NO3 — CID 102384359

IUPAC—
SMILESCC1(C)CCC(CO)(CO)N1[O]
InChIInChI=1S/C8H16NO3/c1-7(2)3-4-8(5-10,6-11)9(7)12/h10-11H,3-6H2,1-2H3
InChIKeyOCUJHKNRECYUCM-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.07
Rot. Bonds2

About CID 102384359

CID 102384359 (PubChem CID 102384359) has the molecular formula C8H16NO3 and a molecular weight of 174.22 g/mol.

Molecular Properties

Compound NameCID 102384359
PubChem CID102384359
Molecular FormulaC8H16NO3
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Name—
SMILESCC1(C)CCC(CO)(CO)N1[O]
InChIInChI=1S/C8H16NO3/c1-7(2)3-4-8(5-10,6-11)9(7)12/h10-11H,3-6H2,1-2H3
InChIKeyOCUJHKNRECYUCM-UHFFFAOYSA-N
XLogP-0.07
TPSA63.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 102384359?
The IUPAC name of CID 102384359 (CID 102384359) is not available.
What is the SMILES notation for CID 102384359?
The canonical SMILES for CID 102384359 is CC1(C)CCC(CO)(CO)N1[O].
What is the InChIKey of CID 102384359?
The InChIKey is OCUJHKNRECYUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO3/c1-7(2)3-4-8(5-10,6-11)9(7)12/h10-11H,3-6H2,1-2H3.
What are the key properties of CID 102384359?
CID 102384359 has a molecular weight of 174.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102384359 is sourced from PubChem (CID 102384359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).