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

C14H29N3O3 — CID 68550995

IUPAC3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
SMILESCCN(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1
InChIInChI=1S/C8H17NO2.C6H12N2O/c1-4-9(7(2)3)6-5-8(10)11;7-6(9)8-4-2-1-3-5-8/h7H,4-6H2,1-3H3,(H,10,11);1-5H2,(H2,7,9)
InChIKeyMCTGFNHDQICRMV-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.74
Rot. Bonds5

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

3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide (PubChem CID 68550995) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
PubChem CID68550995
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide
SMILESCCN(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1
InChIInChI=1S/C8H17NO2.C6H12N2O/c1-4-9(7(2)3)6-5-8(10)11;7-6(9)8-4-2-1-3-5-8/h7H,4-6H2,1-3H3,(H,10,11);1-5H2,(H2,7,9)
InChIKeyMCTGFNHDQICRMV-UHFFFAOYSA-N
XLogP1.74
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The IUPAC name of 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide (CID 68550995) is 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide.
What is the SMILES notation for 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The canonical SMILES for 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide is CCN(CCC(=O)O)C(C)C.NC(=O)N1CCCCC1.
What is the InChIKey of 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
The InChIKey is MCTGFNHDQICRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C6H12N2O/c1-4-9(7(2)3)6-5-8(10)11;7-6(9)8-4-2-1-3-5-8/h7H,4-6H2,1-3H3,(H,10,11);1-5H2,(H2,7,9).
What are the key properties of 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide?
3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propan-2-yl)amino]propanoic acid;piperidine-1-carboxamide is sourced from PubChem (CID 68550995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).