2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid

C16H27N3O4 — CID 119228849

IUPAC2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CCCN(C(=O)N2CCCC2)C1)C(=O)O
InChIInChI=1S/C16H27N3O4/c1-12(15(21)22)10-17(2)14(20)13-6-5-9-19(11-13)16(23)18-7-3-4-8-18/h12-13H,3-11H2,1-2H3,(H,21,22)
InChIKeyVHLKOABYKWOAGF-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid

2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119228849) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID119228849
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CCCN(C(=O)N2CCCC2)C1)C(=O)O
InChIInChI=1S/C16H27N3O4/c1-12(15(21)22)10-17(2)14(20)13-6-5-9-19(11-13)16(23)18-7-3-4-8-18/h12-13H,3-11H2,1-2H3,(H,21,22)
InChIKeyVHLKOABYKWOAGF-UHFFFAOYSA-N
XLogP1.09
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228476
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
3-[(3-fluorocyclohexanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 122126147
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 119656331
2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
CID 119172432
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide
CID 54993733
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
2-methyl-3-[methyl(thiane-4-carbonyl)amino]propanoic acid
CID 110837236
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid (CID 119228849) is 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid is CC(CN(C)C(=O)C1CCCN(C(=O)N2CCCC2)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is VHLKOABYKWOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-12(15(21)22)10-17(2)14(20)13-6-5-9-19(11-13)16(23)18-7-3-4-8-18/h12-13H,3-11H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid?
2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119228849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).