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

C10H12O8 — CID 99934066

IUPAC(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
SMILESO=C(O)C[C@H]1[C@@H](C(=O)O)[C@H](C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H12O8/c11-6(12)2-3-4(8(13)14)1-5(9(15)16)7(3)10(17)18/h3-5,7H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t3-,4+,5-,7-/m1/s1
InChIKeyRHRNYXVSZLSRRP-LPWFLVPJSA-N
MW260.20 g/mol
LogP-0.42
Rot. Bonds5

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

(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid (PubChem CID 99934066) has the molecular formula C10H12O8 and a molecular weight of 260.20 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
PubChem CID99934066
Molecular FormulaC10H12O8
Molecular Weight260.20 g/mol
Exact Mass260.05
IUPAC Name(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
SMILESO=C(O)C[C@H]1[C@@H](C(=O)O)[C@H](C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C10H12O8/c11-6(12)2-3-4(8(13)14)1-5(9(15)16)7(3)10(17)18/h3-5,7H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t3-,4+,5-,7-/m1/s1
InChIKeyRHRNYXVSZLSRRP-LPWFLVPJSA-N
XLogP-0.42
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 ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
The IUPAC name of (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid (CID 99934066) is (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid.
What is the SMILES notation for (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
The canonical SMILES for (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid is O=C(O)C[C@H]1[C@@H](C(=O)O)[C@H](C(=O)O)C[C@@H]1C(=O)O.
What is the InChIKey of (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
The InChIKey is RHRNYXVSZLSRRP-LPWFLVPJSA-N. The full InChI is InChI=1S/C10H12O8/c11-6(12)2-3-4(8(13)14)1-5(9(15)16)7(3)10(17)18/h3-5,7H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t3-,4+,5-,7-/m1/s1.
What are the key properties of (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid?
(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid has a molecular weight of 260.20 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid is sourced from PubChem (CID 99934066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).