(3S)-cyclopentane-1,3-dicarboxylic acid

C7H10O4 — CID 138481198

IUPAC(3S)-cyclopentane-1,3-dicarboxylic acid
SMILESO=C(O)C1CC[C@H](C(=O)O)C1
InChIInChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5?/m0/s1
InChIKeyLNGJOYPCXLOTKL-ROLXFIACSA-N
MW158.15 g/mol
LogP0.57
Rot. Bonds2

About (3S)-cyclopentane-1,3-dicarboxylic acid

(3S)-cyclopentane-1,3-dicarboxylic acid (PubChem CID 138481198) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3S)-cyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(3S)-cyclopentane-1,3-dicarboxylic acid
PubChem CID138481198
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3S)-cyclopentane-1,3-dicarboxylic acid
SMILESO=C(O)C1CC[C@H](C(=O)O)C1
InChIInChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5?/m0/s1
InChIKeyLNGJOYPCXLOTKL-ROLXFIACSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
3-(2-chloroacetyl)cyclopentane-1-carboxylic acid
CID 172968794
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
(1S,3R,4R)-3,4-dibromocyclohexane-1-carboxylic acid
CID 7451908
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
3-hydroxy-4-methylcyclohexane-1-carboxylic acid
CID 13413129

Frequently Asked Questions

What is the IUPAC name of (3S)-cyclopentane-1,3-dicarboxylic acid?
The IUPAC name of (3S)-cyclopentane-1,3-dicarboxylic acid (CID 138481198) is (3S)-cyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for (3S)-cyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for (3S)-cyclopentane-1,3-dicarboxylic acid is O=C(O)C1CC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-cyclopentane-1,3-dicarboxylic acid?
The InChIKey is LNGJOYPCXLOTKL-ROLXFIACSA-N. The full InChI is InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5?/m0/s1.
What are the key properties of (3S)-cyclopentane-1,3-dicarboxylic acid?
(3S)-cyclopentane-1,3-dicarboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-cyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 138481198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).