3-propan-2-ylpiperidine-2-carboxylic acid

C9H17NO2 — CID 130003072

IUPAC3-propan-2-ylpiperidine-2-carboxylic acid
SMILESCC(C)C1CCCNC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)7-4-3-5-10-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyXJAJQWLAFOERLR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds2

About 3-propan-2-ylpiperidine-2-carboxylic acid

3-propan-2-ylpiperidine-2-carboxylic acid (PubChem CID 130003072) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-propan-2-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-ylpiperidine-2-carboxylic acid
PubChem CID130003072
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-propan-2-ylpiperidine-2-carboxylic acid
SMILESCC(C)C1CCCNC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)7-4-3-5-10-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyXJAJQWLAFOERLR-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
1-(3-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 142148896
(2R,3S)-3-(propan-2-yloxycarbonylamino)piperidine-2-carboxylic acid
CID 57145967
3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
CID 15817833
(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 175508356
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
3-phosphonopiperidine-2-carboxylic acid
CID 14850766
(2R)-N-(2-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide
CID 103796390
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990
3-piperidin-1-ylpiperidine-2-carboxylic acid
CID 83835245

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpiperidine-2-carboxylic acid?
The IUPAC name of 3-propan-2-ylpiperidine-2-carboxylic acid (CID 130003072) is 3-propan-2-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 3-propan-2-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 3-propan-2-ylpiperidine-2-carboxylic acid is CC(C)C1CCCNC1C(=O)O.
What is the InChIKey of 3-propan-2-ylpiperidine-2-carboxylic acid?
The InChIKey is XJAJQWLAFOERLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)7-4-3-5-10-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-propan-2-ylpiperidine-2-carboxylic acid?
3-propan-2-ylpiperidine-2-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 130003072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).