3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid

C15H28N2O3 — CID 83995064

IUPAC3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
SMILESCC(=O)N1CC(CCC(=O)O)CC(NCC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(18)17-8-12(5-6-14(19)20)7-13(9-17)16-10-15(2,3)4/h12-13,16H,5-10H2,1-4H3,(H,19,20)
InChIKeyVPPMXNCJWFJNNI-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.72
Rot. Bonds5

About 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid

3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid (PubChem CID 83995064) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
PubChem CID83995064
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
SMILESCC(=O)N1CC(CCC(=O)O)CC(NCC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(18)17-8-12(5-6-14(19)20)7-13(9-17)16-10-15(2,3)4/h12-13,16H,5-10H2,1-4H3,(H,19,20)
InChIKeyVPPMXNCJWFJNNI-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
methyl 3-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propanoate
CID 83992296
2-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992292
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
CID 83990342
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392

Frequently Asked Questions

What is the IUPAC name of 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid (CID 83995064) is 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid is CC(=O)N1CC(CCC(=O)O)CC(NCC(C)(C)C)C1.
What is the InChIKey of 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid?
The InChIKey is VPPMXNCJWFJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(18)17-8-12(5-6-14(19)20)7-13(9-17)16-10-15(2,3)4/h12-13,16H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid?
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83995064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).