3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid

C15H29N3O2 — CID 83997568

IUPAC3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
SMILESNCCN1CC(CCC(=O)O)CC(NCC2CCC2)C1
InChIInChI=1S/C15H29N3O2/c16-6-7-18-10-13(4-5-15(19)20)8-14(11-18)17-9-12-2-1-3-12/h12-14,17H,1-11,16H2,(H,19,20)
InChIKeyZZYBFDHLOXKQDQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.89
Rot. Bonds8

About 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid

3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid (PubChem CID 83997568) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
PubChem CID83997568
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
SMILESNCCN1CC(CCC(=O)O)CC(NCC2CCC2)C1
InChIInChI=1S/C15H29N3O2/c16-6-7-18-10-13(4-5-15(19)20)8-14(11-18)17-9-12-2-1-3-12/h12-14,17H,1-11,16H2,(H,19,20)
InChIKeyZZYBFDHLOXKQDQ-UHFFFAOYSA-N
XLogP0.89
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913
1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid (CID 83997568) is 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid is NCCN1CC(CCC(=O)O)CC(NCC2CCC2)C1.
What is the InChIKey of 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid?
The InChIKey is ZZYBFDHLOXKQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c16-6-7-18-10-13(4-5-15(19)20)8-14(11-18)17-9-12-2-1-3-12/h12-14,17H,1-11,16H2,(H,19,20).
What are the key properties of 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid?
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid has a molecular weight of 283.42 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83997568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).