4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

C12H19NO5 — CID 106670974

IUPAC4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CC(O)C(O)C2)CC1
InChIInChI=1S/C12H19NO5/c14-9-5-13(6-10(9)15)11(16)7-1-3-8(4-2-7)12(17)18/h7-10,14-15H,1-6H2,(H,17,18)
InChIKeyLXQHJBIKHQPBMF-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.56
Rot. Bonds2

About 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 106670974) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID106670974
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CC(O)C(O)C2)CC1
InChIInChI=1S/C12H19NO5/c14-9-5-13(6-10(9)15)11(16)7-1-3-8(4-2-7)12(17)18/h7-10,14-15H,1-6H2,(H,17,18)
InChIKeyLXQHJBIKHQPBMF-UHFFFAOYSA-N
XLogP-0.56
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 106670974) is 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CC(O)C(O)C2)CC1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is LXQHJBIKHQPBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-9-5-13(6-10(9)15)11(16)7-1-3-8(4-2-7)12(17)18/h7-10,14-15H,1-6H2,(H,17,18).
What are the key properties of 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106670974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).