(1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid

C9H10O8 — CID 1268114

IUPAC(1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)[C@H]1[C@H](C(=O)O)[C@H](C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t2-,3+,4-,5-/m1/s1
InChIKeyWOSVXXBNNCUXMT-KKQCNMDGSA-N
MW246.17 g/mol
LogP-0.81
Rot. Bonds4

About (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid

(1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid (PubChem CID 1268114) has the molecular formula C9H10O8 and a molecular weight of 246.17 g/mol. Its IUPAC name is (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name(1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid
PubChem CID1268114
Molecular FormulaC9H10O8
Molecular Weight246.17 g/mol
Exact Mass246.04
IUPAC Name(1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)[C@H]1[C@H](C(=O)O)[C@H](C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t2-,3+,4-,5-/m1/s1
InChIKeyWOSVXXBNNCUXMT-KKQCNMDGSA-N
XLogP-0.81
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid (CID 1268114) is (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid is O=C(O)[C@H]1[C@H](C(=O)O)[C@H](C(=O)O)C[C@@H]1C(=O)O.
What is the InChIKey of (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid?
The InChIKey is WOSVXXBNNCUXMT-KKQCNMDGSA-N. The full InChI is InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t2-,3+,4-,5-/m1/s1.
What are the key properties of (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid?
(1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid has a molecular weight of 246.17 g/mol, XLogP of -0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 1268114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).