1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid

C6H10O2 — CID 59608580

IUPAC1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)O)C1([2H])[2H]
InChIInChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)/i1D2,2D2,3D2,4D2,5D
InChIKeyJBDSSBMEKXHSJF-UHUJFCCWSA-N
MW123.20 g/mol
LogP1.26
Rot. Bonds1

About 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid

1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid (PubChem CID 59608580) has the molecular formula C6H10O2 and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid
PubChem CID59608580
Molecular FormulaC6H10O2
Molecular Weight123.20 g/mol
Exact Mass123.12
IUPAC Name1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)O)C1([2H])[2H]
InChIInChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)/i1D2,2D2,3D2,4D2,5D
InChIKeyJBDSSBMEKXHSJF-UHUJFCCWSA-N
XLogP1.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)
CID 175675478
1,3-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)urea
CID 170991357
1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxylic acid
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CID 171360887
CID 171360887
3-hydroxy-5-oxo-4-(1,2,2,3,3-pentadeuteriocyclopropanecarbonyl)cyclohex-3-ene-1-carboxylic acid
CID 169447527
3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid
CID 118451416
1,3,3,4,4-pentadeuterio-N,N-dimethylcyclopentane-1-carboxamide
CID 118229864
2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide
CID 131869337
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(2S,5S)-5-deuteriopyrrolidine-2-carboxylic acid
CID 101007276
Cyhexatin-d33
CID 169436884

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid (CID 59608580) is 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid is [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)O)C1([2H])[2H].
What is the InChIKey of 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid?
The InChIKey is JBDSSBMEKXHSJF-UHUJFCCWSA-N. The full InChI is InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)/i1D2,2D2,3D2,4D2,5D.
What are the key properties of 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid?
1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid has a molecular weight of 123.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane-1-carboxylic acid is sourced from PubChem (CID 59608580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).