2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid

C15H28N2O3 — CID 122111670

IUPAC2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C(C)C)N1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)13(17-8-6-5-7-9-17)14(18)16(4)10-12(3)15(19)20/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyUZHSXWYQEZOSIL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.68
Rot. Bonds6

About 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid

2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid (PubChem CID 122111670) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid
PubChem CID122111670
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C(C)C)N1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)13(17-8-6-5-7-9-17)14(18)16(4)10-12(3)15(19)20/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyUZHSXWYQEZOSIL-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid
CID 120687256
(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide
CID 95347844
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119228849
2-methyl-3-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 55007380
3-methyl-2-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 43585421
3-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 23008915
2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
3-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid (CID 122111670) is 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid is CC(CN(C)C(=O)C(C(C)C)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid?
The InChIKey is UZHSXWYQEZOSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)13(17-8-6-5-7-9-17)14(18)16(4)10-12(3)15(19)20/h11-13H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid?
2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(3-methyl-2-piperidin-1-ylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 122111670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).