2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid

C13H24N2O3 — CID 103500513

IUPAC2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)C1CCN(C(=O)N(C)C(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)11-5-7-15(8-6-11)13(18)14(4)10(3)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyXLPSFJLNLAZNLH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds3

About 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid

2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 103500513) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID103500513
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)C1CCN(C(=O)N(C)C(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)11-5-7-15(8-6-11)13(18)14(4)10(3)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyXLPSFJLNLAZNLH-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62639034
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 62637046
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
CID 83265684
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
CID 63614715
2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid
CID 79934908
N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
CID 116656255

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid (CID 103500513) is 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid is CC(C)C1CCN(C(=O)N(C)C(C)C(=O)O)CC1.
What is the InChIKey of 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is XLPSFJLNLAZNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)11-5-7-15(8-6-11)13(18)14(4)10(3)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid?
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103500513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).