3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid

C10H16N2O3 — CID 66032376

IUPAC3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCCNC2=O)C1
InChIInChI=1S/C10H16N2O3/c13-9(14)7-2-3-8(6-7)12-5-1-4-11-10(12)15/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyATJUDLDRTGINNV-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.65
Rot. Bonds2

About 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid

3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 66032376) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid
PubChem CID66032376
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCCNC2=O)C1
InChIInChI=1S/C10H16N2O3/c13-9(14)7-2-3-8(6-7)12-5-1-4-11-10(12)15/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyATJUDLDRTGINNV-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid (CID 66032376) is 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(N2CCCNC2=O)C1.
What is the InChIKey of 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ATJUDLDRTGINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(14)7-2-3-8(6-7)12-5-1-4-11-10(12)15/h7-8H,1-6H2,(H,11,15)(H,13,14).
What are the key properties of 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid?
3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).