2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid

C14H24N2O4 — CID 61262451

IUPAC2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-9(2)12(18)16-7-5-10(6-8-16)11(17)15-14(3,4)13(19)20/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyMLTZJWFZNOFMFZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds4

About 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid

2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 61262451) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID61262451
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-9(2)12(18)16-7-5-10(6-8-16)11(17)15-14(3,4)13(19)20/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyMLTZJWFZNOFMFZ-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
2-(4-chlorophenyl)-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120977798
N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113238678
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119199669
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
1-(2-methylpropanoyl)-N-(2-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 146091632
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61246188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (CID 61262451) is 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is CC(C)C(=O)N1CCC(C(=O)NC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is MLTZJWFZNOFMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)12(18)16-7-5-10(6-8-16)11(17)15-14(3,4)13(19)20/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61262451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).