3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid

C15H30N2O2 — CID 83990902

IUPAC3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
SMILESCCCCN1CC(CCC(=O)O)CC(NCCC)C1
InChIInChI=1S/C15H30N2O2/c1-3-5-9-17-11-13(6-7-15(18)19)10-14(12-17)16-8-4-2/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyMHDVPDWNNDDRSL-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds9

About 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid

3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid (PubChem CID 83990902) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
PubChem CID83990902
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
SMILESCCCCN1CC(CCC(=O)O)CC(NCCC)C1
InChIInChI=1S/C15H30N2O2/c1-3-5-9-17-11-13(6-7-15(18)19)10-14(12-17)16-8-4-2/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyMHDVPDWNNDDRSL-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.34
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-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
CID 83990342

Frequently Asked Questions

What is the IUPAC name of 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid (CID 83990902) is 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid is CCCCN1CC(CCC(=O)O)CC(NCCC)C1.
What is the InChIKey of 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid?
The InChIKey is MHDVPDWNNDDRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-5-9-17-11-13(6-7-15(18)19)10-14(12-17)16-8-4-2/h13-14,16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid?
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83990902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).