4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid

C13H23NO3 — CID 129497284

IUPAC4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESC[C@@H](O)[C@@H]1CCN(C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H23NO3/c1-9(15)11-6-7-14(8-11)12-4-2-10(3-5-12)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17)/t9-,10?,11-,12?/m1/s1
InChIKeyMIDZMOCDSKPQIL-QTAHKJALSA-N
MW241.33 g/mol
LogP1.33
Rot. Bonds3

About 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid

4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 129497284) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID129497284
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESC[C@@H](O)[C@@H]1CCN(C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H23NO3/c1-9(15)11-6-7-14(8-11)12-4-2-10(3-5-12)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17)/t9-,10?,11-,12?/m1/s1
InChIKeyMIDZMOCDSKPQIL-QTAHKJALSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497292
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
CID 103983594
4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694621
4-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-ol
CID 106839975
(3R,8S)-8-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylic acid
CID 10385431
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid (CID 129497284) is 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid is C[C@@H](O)[C@@H]1CCN(C2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is MIDZMOCDSKPQIL-QTAHKJALSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(15)11-6-7-14(8-11)12-4-2-10(3-5-12)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17)/t9-,10?,11-,12?/m1/s1.
What are the key properties of 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129497284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).