2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid

C15H28N2O2 — CID 55040284

IUPAC2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
SMILESCC1CCCN(CCC(C)(NC2CC2)C(=O)O)C1C
InChIInChI=1S/C15H28N2O2/c1-11-5-4-9-17(12(11)2)10-8-15(3,14(18)19)16-13-6-7-13/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyXFPVNRCYJPJSBB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds6

About 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid

2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid (PubChem CID 55040284) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
PubChem CID55040284
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
SMILESCC1CCCN(CCC(C)(NC2CC2)C(=O)O)C1C
InChIInChI=1S/C15H28N2O2/c1-11-5-4-9-17(12(11)2)10-8-15(3,14(18)19)16-13-6-7-13/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyXFPVNRCYJPJSBB-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Piperidin-1-yl)piperidine-4-carboxylic acid
CID 22185355
(2S)-4-(3-fluoro-3-methylpiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146517505
1-Propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54892939
1-Propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54892985
1-Ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54893034
2-(Ethylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 65530063
2-(Cyclopropylamino)-2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 65530246
2-(Propylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 65530251
2-(Ethylamino)-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 65530449
2-Methyl-2-(methylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 65530632
2-Methyl-2-(propylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 65530823
2-(Methylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 65530828

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid (CID 55040284) is 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid is CC1CCCN(CCC(C)(NC2CC2)C(=O)O)C1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid?
The InChIKey is XFPVNRCYJPJSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-5-4-9-17(12(11)2)10-8-15(3,14(18)19)16-13-6-7-13/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid?
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 55040284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).