2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid

C12H22N2O3 — CID 116536813

IUPAC2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C(=O)N1CCCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(11(16)17)10(15)14-6-4-5-8(13)7-14/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyHURTYYLOJQMSFU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid

2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid (PubChem CID 116536813) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
PubChem CID116536813
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C(=O)N1CCCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(11(16)17)10(15)14-6-4-5-8(13)7-14/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyHURTYYLOJQMSFU-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanoic acid
CID 116537295
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61403898
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119377592
2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116537054
2-(4-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536501
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
2-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 130620193
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid
CID 116536942
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid (CID 116536813) is 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)C(=O)N1CCCC(N)C1.
What is the InChIKey of 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
The InChIKey is HURTYYLOJQMSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)9(11(16)17)10(15)14-6-4-5-8(13)7-14/h8-9H,4-7,13H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid?
2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 116536813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).