(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid

C12H19NO3 — CID 107000484

IUPAC(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1(C)CC1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-12(2)6-9(12)10(14)13-5-3-4-8(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9?/m1/s1
InChIKeyWOTSQKVCHFEGHN-VEDVMXKPSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds2

About (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid

(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid (PubChem CID 107000484) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
PubChem CID107000484
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1(C)CC1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-12(2)6-9(12)10(14)13-5-3-4-8(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9?/m1/s1
InChIKeyWOTSQKVCHFEGHN-VEDVMXKPSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid (CID 107000484) is (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid is CC1(C)CC1C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The InChIKey is WOTSQKVCHFEGHN-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2)6-9(12)10(14)13-5-3-4-8(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9?/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107000484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).