(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid

C14H23NO3 — CID 81120844

IUPAC(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)N2CCC[C@H](C(=O)O)C2)C1(C)C
InChIInChI=1S/C14H23NO3/c1-13(2)10(14(13,3)4)11(16)15-7-5-6-9(8-15)12(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKeySXWYTMPNSDEHLL-VIFPVBQESA-N
MW253.34 g/mol
LogP1.99
Rot. Bonds2

About (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid

(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid (PubChem CID 81120844) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
PubChem CID81120844
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)N2CCC[C@H](C(=O)O)C2)C1(C)C
InChIInChI=1S/C14H23NO3/c1-13(2)10(14(13,3)4)11(16)15-7-5-6-9(8-15)12(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKeySXWYTMPNSDEHLL-VIFPVBQESA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide
CID 66478043
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484
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
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
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-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid (CID 81120844) is (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid is CC1(C)C(C(=O)N2CCC[C@H](C(=O)O)C2)C1(C)C.
What is the InChIKey of (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The InChIKey is SXWYTMPNSDEHLL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2)10(14(13,3)4)11(16)15-7-5-6-9(8-15)12(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).