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

C15H31N3O3 — CID 68547032

IUPAC3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
SMILESCC(C)N(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1
InChIInChI=1S/C9H19NO2.C6H12N2O/c1-7(2)10(8(3)4)6-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h7-8H,5-6H2,1-4H3,(H,11,12);1-5H2,(H2,7,9)
InChIKeyFPNFKEOSLRRRKC-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.13
Rot. Bonds5

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

3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide (PubChem CID 68547032) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
PubChem CID68547032
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
SMILESCC(C)N(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1
InChIInChI=1S/C9H19NO2.C6H12N2O/c1-7(2)10(8(3)4)6-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h7-8H,5-6H2,1-4H3,(H,11,12);1-5H2,(H2,7,9)
InChIKeyFPNFKEOSLRRRKC-UHFFFAOYSA-N
XLogP2.13
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The IUPAC name of 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide (CID 68547032) is 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide.
What is the SMILES notation for 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The canonical SMILES for 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide is CC(C)N(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1.
What is the InChIKey of 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The InChIKey is FPNFKEOSLRRRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C6H12N2O/c1-7(2)10(8(3)4)6-5-9(11)12;7-6(9)8-4-2-1-3-5-8/h7-8H,5-6H2,1-4H3,(H,11,12);1-5H2,(H2,7,9).
What are the key properties of 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide is sourced from PubChem (CID 68547032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).