2-amino-3-piperidin-3-ylpropanoic acid

C8H16N2O2 — CID 22035578

IUPAC2-amino-3-piperidin-3-ylpropanoic acid
SMILESNC(CC1CCCNC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h6-7,10H,1-5,9H2,(H,11,12)
InChIKeyBKQGYYLJOJLDMS-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-3-piperidin-3-ylpropanoic acid

2-amino-3-piperidin-3-ylpropanoic acid (PubChem CID 22035578) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-3-piperidin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-piperidin-3-ylpropanoic acid
PubChem CID22035578
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-3-piperidin-3-ylpropanoic acid
SMILESNC(CC1CCCNC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h6-7,10H,1-5,9H2,(H,11,12)
InChIKeyBKQGYYLJOJLDMS-UHFFFAOYSA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-piperidin-3-ylpropanoic acid?
The IUPAC name of 2-amino-3-piperidin-3-ylpropanoic acid (CID 22035578) is 2-amino-3-piperidin-3-ylpropanoic acid.
What is the SMILES notation for 2-amino-3-piperidin-3-ylpropanoic acid?
The canonical SMILES for 2-amino-3-piperidin-3-ylpropanoic acid is NC(CC1CCCNC1)C(=O)O.
What is the InChIKey of 2-amino-3-piperidin-3-ylpropanoic acid?
The InChIKey is BKQGYYLJOJLDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h6-7,10H,1-5,9H2,(H,11,12).
What are the key properties of 2-amino-3-piperidin-3-ylpropanoic acid?
2-amino-3-piperidin-3-ylpropanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-piperidin-3-ylpropanoic acid is sourced from PubChem (CID 22035578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).