1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid

C12H20O6 — CID 67191727

IUPAC1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)CC(CC1(C(=O)O)CCCC1)C(O)CO
InChIInChI=1S/C12H20O6/c13-7-9(14)8(5-10(15)16)6-12(11(17)18)3-1-2-4-12/h8-9,13-14H,1-7H2,(H,15,16)(H,17,18)
InChIKeyHYTUOSKQZGVKCV-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.47
Rot. Bonds7

About 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid

1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid (PubChem CID 67191727) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid
PubChem CID67191727
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)CC(CC1(C(=O)O)CCCC1)C(O)CO
InChIInChI=1S/C12H20O6/c13-7-9(14)8(5-10(15)16)6-12(11(17)18)3-1-2-4-12/h8-9,13-14H,1-7H2,(H,15,16)(H,17,18)
InChIKeyHYTUOSKQZGVKCV-UHFFFAOYSA-N
XLogP0.47
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid (CID 67191727) is 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid is O=C(O)CC(CC1(C(=O)O)CCCC1)C(O)CO.
What is the InChIKey of 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid?
The InChIKey is HYTUOSKQZGVKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c13-7-9(14)8(5-10(15)16)6-12(11(17)18)3-1-2-4-12/h8-9,13-14H,1-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid?
1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carboxymethyl)-3,4-dihydroxybutyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 67191727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).