(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid

C13H21NO3 — CID 124576606

IUPAC(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1
InChIInChI=1S/C13H21NO3/c1-2-13(6-4-7-13)12(17)14-8-3-5-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyINTDSLPTZPNCKH-SNVBAGLBSA-N
MW239.31 g/mol
LogP1.89
Rot. Bonds3

About (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid

(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid (PubChem CID 124576606) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
PubChem CID124576606
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1
InChIInChI=1S/C13H21NO3/c1-2-13(6-4-7-13)12(17)14-8-3-5-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyINTDSLPTZPNCKH-SNVBAGLBSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224848
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453
3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 75483564
1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 115441831
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 104866292
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid (CID 124576606) is (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid is CCC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1.
What is the InChIKey of (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid?
The InChIKey is INTDSLPTZPNCKH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-13(6-4-7-13)12(17)14-8-3-5-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid?
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 124576606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).