3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide

C13H27N3O3 — CID 68549811

IUPAC3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
SMILESCC(C)N(C)CCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C7H15NO2.C6H12N2O/c1-6(2)8(3)5-4-7(9)10;7-6(9)8-4-2-1-3-5-8/h6H,4-5H2,1-3H3,(H,9,10);1-5H2,(H2,7,9)
InChIKeyMOGXPRCPSCEDBG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.35
Rot. Bonds4

About 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide

3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide (PubChem CID 68549811) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
PubChem CID68549811
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
SMILESCC(C)N(C)CCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C7H15NO2.C6H12N2O/c1-6(2)8(3)5-4-7(9)10;7-6(9)8-4-2-1-3-5-8/h6H,4-5H2,1-3H3,(H,9,10);1-5H2,(H2,7,9)
InChIKeyMOGXPRCPSCEDBG-UHFFFAOYSA-N
XLogP1.35
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The IUPAC name of 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide (CID 68549811) is 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide is CC(C)N(C)CCC(=O)O.NC(=O)N1CCCCC1.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The InChIKey is MOGXPRCPSCEDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H12N2O/c1-6(2)8(3)5-4-7(9)10;7-6(9)8-4-2-1-3-5-8/h6H,4-5H2,1-3H3,(H,9,10);1-5H2,(H2,7,9).
What are the key properties of 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide is sourced from PubChem (CID 68549811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).