piperidin-4-yl (2S)-2-aminopropanoate

C8H16N2O2 — CID 67040783

IUPACpiperidin-4-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(11)12-7-2-4-10-5-3-7/h6-7,10H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyYFXZZKSQGWOHKG-LURJTMIESA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds2

About piperidin-4-yl (2S)-2-aminopropanoate

piperidin-4-yl (2S)-2-aminopropanoate (PubChem CID 67040783) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is piperidin-4-yl (2S)-2-aminopropanoate.

Molecular Properties

Compound Namepiperidin-4-yl (2S)-2-aminopropanoate
PubChem CID67040783
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namepiperidin-4-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-6(9)8(11)12-7-2-4-10-5-3-7/h6-7,10H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyYFXZZKSQGWOHKG-LURJTMIESA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl (2S)-2-aminopropanoate?
The IUPAC name of piperidin-4-yl (2S)-2-aminopropanoate (CID 67040783) is piperidin-4-yl (2S)-2-aminopropanoate.
What is the SMILES notation for piperidin-4-yl (2S)-2-aminopropanoate?
The canonical SMILES for piperidin-4-yl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl (2S)-2-aminopropanoate?
The InChIKey is YFXZZKSQGWOHKG-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)8(11)12-7-2-4-10-5-3-7/h6-7,10H,2-5,9H2,1H3/t6-/m0/s1.
What are the key properties of piperidin-4-yl (2S)-2-aminopropanoate?
piperidin-4-yl (2S)-2-aminopropanoate has a molecular weight of 172.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl (2S)-2-aminopropanoate is sourced from PubChem (CID 67040783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).