1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid

C15H28N2O3 — CID 63138201

IUPAC1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-15(13(19)20)8-6-9-17(10-15)12(18)11(16)14(2,3)4/h11H,5-10,16H2,1-4H3,(H,19,20)/t11-,15?/m1/s1
InChIKeyWGONBNZOLCPDLU-ZRKZCGFPSA-N
MW284.40 g/mol
LogP1.85
Rot. Bonds4

About 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid

1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63138201) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63138201
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-15(13(19)20)8-6-9-17(10-15)12(18)11(16)14(2,3)4/h11H,5-10,16H2,1-4H3,(H,19,20)/t11-,15?/m1/s1
InChIKeyWGONBNZOLCPDLU-ZRKZCGFPSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid (CID 63138201) is 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)[C@@H](N)C(C)(C)C)C1.
What is the InChIKey of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is WGONBNZOLCPDLU-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-15(13(19)20)8-6-9-17(10-15)12(18)11(16)14(2,3)4/h11H,5-10,16H2,1-4H3,(H,19,20)/t11-,15?/m1/s1.
What are the key properties of 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid?
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63138201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).