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

C13H21NO3 — CID 81119321

IUPAC(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCCC1
InChIInChI=1S/C13H21NO3/c1-13(6-2-3-7-13)12(17)14-8-4-5-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyCHDRESGMQZTGKL-SNVBAGLBSA-N
MW239.31 g/mol
LogP1.89
Rot. Bonds2

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

(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid (PubChem CID 81119321) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
PubChem CID81119321
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCCC1
InChIInChI=1S/C13H21NO3/c1-13(6-2-3-7-13)12(17)14-8-4-5-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyCHDRESGMQZTGKL-SNVBAGLBSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
ethyl (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81345163
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81344303
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
1-acetylpiperidine-3-carboxylic acid
CID 14043896
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid (CID 81119321) is (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid is CC1(C(=O)N2CCC[C@@H](C(=O)O)C2)CCCC1.
What is the InChIKey of (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
The InChIKey is CHDRESGMQZTGKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(6-2-3-7-13)12(17)14-8-4-5-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid?
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81119321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).