3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid

C15H28N2O3 — CID 115867296

IUPAC3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C(N)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-10(8-12(18)19)11-6-5-7-17(9-11)14(20)13(16)15(2,3)4/h10-11,13H,5-9,16H2,1-4H3,(H,18,19)
InChIKeyAWTCXKWVETZSCN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds4

About 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid

3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid (PubChem CID 115867296) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
PubChem CID115867296
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C(N)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-10(8-12(18)19)11-6-5-7-17(9-11)14(20)13(16)15(2,3)4/h10-11,13H,5-9,16H2,1-4H3,(H,18,19)
InChIKeyAWTCXKWVETZSCN-UHFFFAOYSA-N
XLogP1.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidine-3-carboxylic acid
CID 61157543
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-[1-[(E)-4-aminobut-2-enoyl]piperidin-3-yl]butanoic acid
CID 112746837
3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid (CID 115867296) is 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)C(N)C(C)(C)C)C1.
What is the InChIKey of 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid?
The InChIKey is AWTCXKWVETZSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(8-12(18)19)11-6-5-7-17(9-11)14(20)13(16)15(2,3)4/h10-11,13H,5-9,16H2,1-4H3,(H,18,19).
What are the key properties of 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid?
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 115867296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).