(2S)-2-butan-2-ylpiperidine-2-carboxylic acid

C10H19NO2 — CID 25029922

IUPAC(2S)-2-butan-2-ylpiperidine-2-carboxylic acid
SMILESCCC(C)[C@]1(C(=O)O)CCCCN1
InChIInChI=1S/C10H19NO2/c1-3-8(2)10(9(12)13)6-4-5-7-11-10/h8,11H,3-7H2,1-2H3,(H,12,13)/t8?,10-/m0/s1
InChIKeyQHNUBHOKHFIGRX-HTLJXXAVSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds3

About (2S)-2-butan-2-ylpiperidine-2-carboxylic acid

(2S)-2-butan-2-ylpiperidine-2-carboxylic acid (PubChem CID 25029922) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-butan-2-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-butan-2-ylpiperidine-2-carboxylic acid
PubChem CID25029922
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-butan-2-ylpiperidine-2-carboxylic acid
SMILESCCC(C)[C@]1(C(=O)O)CCCCN1
InChIInChI=1S/C10H19NO2/c1-3-8(2)10(9(12)13)6-4-5-7-11-10/h8,11H,3-7H2,1-2H3,(H,12,13)/t8?,10-/m0/s1
InChIKeyQHNUBHOKHFIGRX-HTLJXXAVSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-butan-2-ylpiperidine-2-carboxylic acid?
The IUPAC name of (2S)-2-butan-2-ylpiperidine-2-carboxylic acid (CID 25029922) is (2S)-2-butan-2-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-butan-2-ylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-butan-2-ylpiperidine-2-carboxylic acid is CCC(C)[C@]1(C(=O)O)CCCCN1.
What is the InChIKey of (2S)-2-butan-2-ylpiperidine-2-carboxylic acid?
The InChIKey is QHNUBHOKHFIGRX-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(2)10(9(12)13)6-4-5-7-11-10/h8,11H,3-7H2,1-2H3,(H,12,13)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-butan-2-ylpiperidine-2-carboxylic acid?
(2S)-2-butan-2-ylpiperidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butan-2-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 25029922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).