4-amino-2-(2-propylpiperidin-1-yl)butanoic acid

C12H24N2O2 — CID 83057524

IUPAC4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1C(CCN)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-2-5-10-6-3-4-9-14(10)11(7-8-13)12(15)16/h10-11H,2-9,13H2,1H3,(H,15,16)
InChIKeyLBCDRZAVCQRFBL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.44
Rot. Bonds6

About 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid

4-amino-2-(2-propylpiperidin-1-yl)butanoic acid (PubChem CID 83057524) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
PubChem CID83057524
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1C(CCN)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-2-5-10-6-3-4-9-14(10)11(7-8-13)12(15)16/h10-11H,2-9,13H2,1H3,(H,15,16)
InChIKeyLBCDRZAVCQRFBL-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid (CID 83057524) is 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid is CCCC1CCCCN1C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid?
The InChIKey is LBCDRZAVCQRFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-5-10-6-3-4-9-14(10)11(7-8-13)12(15)16/h10-11H,2-9,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid?
4-amino-2-(2-propylpiperidin-1-yl)butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-propylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 83057524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).