(1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid

C10H12O8 — CID 11414277

IUPAC(1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
SMILESO=C(O)C[C@@]1(C(=O)O)C[C@@H](C(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C10H12O8/c11-6(12)3-10(9(17)18)2-4(7(13)14)1-5(10)8(15)16/h4-5H,1-3H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-,10-/m0/s1
InChIKeyNRDFAGFFXYBZLB-HGRQIUPRSA-N
MW260.20 g/mol
LogP-0.27
Rot. Bonds5

About (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid

(1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid (PubChem CID 11414277) has the molecular formula C10H12O8 and a molecular weight of 260.20 g/mol. Its IUPAC name is (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name(1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
PubChem CID11414277
Molecular FormulaC10H12O8
Molecular Weight260.20 g/mol
Exact Mass260.05
IUPAC Name(1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
SMILESO=C(O)C[C@@]1(C(=O)O)C[C@@H](C(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C10H12O8/c11-6(12)3-10(9(17)18)2-4(7(13)14)1-5(10)8(15)16/h4-5H,1-3H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-,10-/m0/s1
InChIKeyNRDFAGFFXYBZLB-HGRQIUPRSA-N
XLogP-0.27
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
The IUPAC name of (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid (CID 11414277) is (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid.
What is the SMILES notation for (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
The canonical SMILES for (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid is O=C(O)C[C@@]1(C(=O)O)C[C@@H](C(=O)O)C[C@H]1C(=O)O.
What is the InChIKey of (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
The InChIKey is NRDFAGFFXYBZLB-HGRQIUPRSA-N. The full InChI is InChI=1S/C10H12O8/c11-6(12)3-10(9(17)18)2-4(7(13)14)1-5(10)8(15)16/h4-5H,1-3H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-,10-/m0/s1.
What are the key properties of (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
(1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid has a molecular weight of 260.20 g/mol, XLogP of -0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-1-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid is sourced from PubChem (CID 11414277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).