6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid

C16H26O7 — CID 67586810

IUPAC6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid
SMILESO=C(O)CCC(=O)CC[C@H]1CCC[C@@H]1CCCC(O)(O)C(=O)O
InChIInChI=1S/C16H26O7/c17-13(8-9-14(18)19)7-6-12-4-1-3-11(12)5-2-10-16(22,23)15(20)21/h11-12,22-23H,1-10H2,(H,18,19)(H,20,21)/t11-,12-/m1/s1
InChIKeyWGKPLVCNFCFPOL-VXGBXAGGSA-N
MW330.38 g/mol
LogP1.55
Rot. Bonds11

About 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid

6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid (PubChem CID 67586810) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid
PubChem CID67586810
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid
SMILESO=C(O)CCC(=O)CC[C@H]1CCC[C@@H]1CCCC(O)(O)C(=O)O
InChIInChI=1S/C16H26O7/c17-13(8-9-14(18)19)7-6-12-4-1-3-11(12)5-2-10-16(22,23)15(20)21/h11-12,22-23H,1-10H2,(H,18,19)(H,20,21)/t11-,12-/m1/s1
InChIKeyWGKPLVCNFCFPOL-VXGBXAGGSA-N
XLogP1.55
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-octylcyclopentyl)propanoic acid
CID 57357948
3-[2-(carboxymethyl)cyclopentyl]propanoic acid
CID 13359518
7-[(1S,2R)-2-(4,4-dimethyloctyl)cyclopentyl]heptanoic acid
CID 18594595
1-(2-propylcyclohexyl)nonane-3,6-dione
CID 70817360
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
13-(2-sulfanylcyclopentyl)tridecanoic acid
CID 87483941
4-(2-amino-3-hydroxycyclohexyl)butanoic acid
CID 163221531
8-cyclobutyloctanoic acid
CID 72551210
2,2-dihydroxyoctadecanoic acid;hexadecanoic acid
CID 174926334
5-[2-(5-methoxy-5-oxopentyl)cyclohexyl]pentanoic acid
CID 176900201
5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid
CID 57307550
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid?
The IUPAC name of 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid (CID 67586810) is 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid.
What is the SMILES notation for 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid?
The canonical SMILES for 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid is O=C(O)CCC(=O)CC[C@H]1CCC[C@@H]1CCCC(O)(O)C(=O)O.
What is the InChIKey of 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid?
The InChIKey is WGKPLVCNFCFPOL-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H26O7/c17-13(8-9-14(18)19)7-6-12-4-1-3-11(12)5-2-10-16(22,23)15(20)21/h11-12,22-23H,1-10H2,(H,18,19)(H,20,21)/t11-,12-/m1/s1.
What are the key properties of 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid?
6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid has a molecular weight of 330.38 g/mol, XLogP of 1.55, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2R)-2-(4-carboxy-4,4-dihydroxybutyl)cyclopentyl]-4-oxohexanoic acid is sourced from PubChem (CID 67586810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).