3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 112627138

IUPAC3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCC(O)C1CCN(C(=O)C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H23NO4/c1-9(16)12-5-6-15(8-12)13(17)10-3-2-4-11(7-10)14(18)19/h9-12,16H,2-8H2,1H3,(H,18,19)
InChIKeyHUPNSPPAYRIXLQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.11
Rot. Bonds3

About 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 112627138) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID112627138
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCC(O)C1CCN(C(=O)C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H23NO4/c1-9(16)12-5-6-15(8-12)13(17)10-3-2-4-11(7-10)14(18)19/h9-12,16H,2-8H2,1H3,(H,18,19)
InChIKeyHUPNSPPAYRIXLQ-UHFFFAOYSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629300
1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 115966230
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
CID 112627314
(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625202
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 109480175
(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629306
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 112627138) is 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is CC(O)C1CCN(C(=O)C2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is HUPNSPPAYRIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(16)12-5-6-15(8-12)13(17)10-3-2-4-11(7-10)14(18)19/h9-12,16H,2-8H2,1H3,(H,18,19).
What are the key properties of 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 112627138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).