(3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide

C14H24N2O3 — CID 124874812

IUPAC(3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide
SMILESCCC1CCC(C(=O)N2CC[C@](O)(C(N)=O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-10-3-5-11(6-4-10)12(17)16-8-7-14(19,9-16)13(15)18/h10-11,19H,2-9H2,1H3,(H2,15,18)/t10?,11?,14-/m1/s1
InChIKeyXQMBJAPLAUHFON-QIMFLAQGSA-N
MW268.36 g/mol
LogP0.65
Rot. Bonds3

About (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide

(3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide (PubChem CID 124874812) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide
PubChem CID124874812
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide
SMILESCCC1CCC(C(=O)N2CC[C@](O)(C(N)=O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-10-3-5-11(6-4-10)12(17)16-8-7-14(19,9-16)13(15)18/h10-11,19H,2-9H2,1H3,(H2,15,18)/t10?,11?,14-/m1/s1
InChIKeyXQMBJAPLAUHFON-QIMFLAQGSA-N
XLogP0.65
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
cyclopropyl-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)methanone
CID 165447364
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
1-[(6S,11R)-2-(4-ethylcyclohexanecarbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-8-yl]-2-(methylamino)ethanone;hydrochloride
CID 154922290
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404369
3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 107323128
(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
CID 62780914
cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone
CID 70909624
(3S)-3-hydroxy-1-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 100623581

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide (CID 124874812) is (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide is CCC1CCC(C(=O)N2CC[C@](O)(C(N)=O)C2)CC1.
What is the InChIKey of (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide?
The InChIKey is XQMBJAPLAUHFON-QIMFLAQGSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-10-3-5-11(6-4-10)12(17)16-8-7-14(19,9-16)13(15)18/h10-11,19H,2-9H2,1H3,(H2,15,18)/t10?,11?,14-/m1/s1.
What are the key properties of (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide?
(3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypyrrolidine-3-carboxamide is sourced from PubChem (CID 124874812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).