(3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid

C7H10O4 — CID 131187392

IUPAC(3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid
SMILESCC1=C(C(=O)O)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C7H10O4/c1-3-4(6(9)10)7(2,11)5(3)8/h5,8,11H,1-2H3,(H,9,10)/t5-,7+/m1/s1
InChIKeyLWTNHZKCYNOIFV-VDTYLAMSSA-N
MW158.15 g/mol
LogP-0.49
Rot. Bonds1

About (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid

(3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid (PubChem CID 131187392) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid
PubChem CID131187392
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid
SMILESCC1=C(C(=O)O)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C7H10O4/c1-3-4(6(9)10)7(2,11)5(3)8/h5,8,11H,1-2H3,(H,9,10)/t5-,7+/m1/s1
InChIKeyLWTNHZKCYNOIFV-VDTYLAMSSA-N
XLogP-0.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid?
The IUPAC name of (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid (CID 131187392) is (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid is CC1=C(C(=O)O)[C@](C)(O)[C@@H]1O.
What is the InChIKey of (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid?
The InChIKey is LWTNHZKCYNOIFV-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-4(6(9)10)7(2,11)5(3)8/h5,8,11H,1-2H3,(H,9,10)/t5-,7+/m1/s1.
What are the key properties of (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid?
(3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid has a molecular weight of 158.15 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dihydroxy-2,4-dimethylcyclobutene-1-carboxylic acid is sourced from PubChem (CID 131187392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).