4-(3-methylbutyl)piperidine-2-carboxylic acid

C11H21NO2 — CID 82397672

IUPAC4-(3-methylbutyl)piperidine-2-carboxylic acid
SMILESCC(C)CCC1CCNC(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)3-4-9-5-6-12-10(7-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJESCCGVQRWVXFX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds4

About 4-(3-methylbutyl)piperidine-2-carboxylic acid

4-(3-methylbutyl)piperidine-2-carboxylic acid (PubChem CID 82397672) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(3-methylbutyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylbutyl)piperidine-2-carboxylic acid
PubChem CID82397672
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(3-methylbutyl)piperidine-2-carboxylic acid
SMILESCC(C)CCC1CCNC(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)3-4-9-5-6-12-10(7-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJESCCGVQRWVXFX-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
(2S,4R)-4-(sulfanylmethyl)piperidine-2-carboxylic acid
CID 137455013
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 21126371
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
4-prop-2-enylpiperidine-2-carboxylic acid
CID 70583739
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]piperidine-2-carboxylic acid
CID 175868940
methyl (2S)-4-(3-methylbutyl)pyrrolidine-2-carboxylate
CID 143708498
5-(cyclopropylmethyl)azepane-2-carboxylic acid
CID 18446400
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-methylbutyl)piperidine-2-carboxylic acid (CID 82397672) is 4-(3-methylbutyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methylbutyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-methylbutyl)piperidine-2-carboxylic acid is CC(C)CCC1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(3-methylbutyl)piperidine-2-carboxylic acid?
The InChIKey is JESCCGVQRWVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)3-4-9-5-6-12-10(7-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(3-methylbutyl)piperidine-2-carboxylic acid?
4-(3-methylbutyl)piperidine-2-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 82397672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).