(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid

C6H10O4 — CID 45084677

IUPAC(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O4/c7-4-2-1-3(5(4)8)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4+,5+/m0/s1
InChIKeyYZKSMIODTJFXDP-VPENINKCSA-N
MW146.14 g/mol
LogP-0.80
Rot. Bonds1

About (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid

(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid (PubChem CID 45084677) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
PubChem CID45084677
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O4/c7-4-2-1-3(5(4)8)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4+,5+/m0/s1
InChIKeyYZKSMIODTJFXDP-VPENINKCSA-N
XLogP-0.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Homoisocitrate
CID 5460287
3-Hydroxycyclopentanecarboxylic acid
CID 15153193
(1S,3S)-3-Hydroxy-cyclopentanecarboxylic acid
CID 54492716
Homoisocitric acid
CID 5119182
(1S,3R)-3-Hydroxycyclopentanecarboxylic acid
CID 45076184
(1R,3R)-3-hydroxycyclopentane-1-carboxylic acid
CID 56845841
Lithium(1+) 2-(2,3-dihydroxycyclopentyl)acetate
CID 165807405
4-Ethoxycarbonyl-1,2-cyclopentanediol
CID 14476147
(3S)-3-hydroxycyclopentane-1-carboxylic acid
CID 67376063
(3R)-3-hydroxycyclopentane-1-carboxylic acid
CID 152468306
(1S,2R)-1-hydroxybutane-1,2,4-tricarboxylic acid
CID 6326746
1,2,3-Trihydroxycyclopentanecarboxylic acid methyl ester
CID 129710476

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid (CID 45084677) is (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid?
The InChIKey is YZKSMIODTJFXDP-VPENINKCSA-N. The full InChI is InChI=1S/C6H10O4/c7-4-2-1-3(5(4)8)6(9)10/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4+,5+/m0/s1.
What are the key properties of (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid?
(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 45084677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).