piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate

C12H19N3O2 — CID 174820553

IUPACpiperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate
SMILESC[C@](N)(C(=O)ON1CCCCC1)n1cccc1
InChIInChI=1S/C12H19N3O2/c1-12(13,14-7-5-6-8-14)11(16)17-15-9-3-2-4-10-15/h5-8H,2-4,9-10,13H2,1H3/t12-/m1/s1
InChIKeyJKOTXUFYXIUQNW-GFCCVEGCSA-N
MW237.30 g/mol
LogP1.06
Rot. Bonds3

About piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate

piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate (PubChem CID 174820553) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate.

Molecular Properties

Compound Namepiperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate
PubChem CID174820553
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namepiperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate
SMILESC[C@](N)(C(=O)ON1CCCCC1)n1cccc1
InChIInChI=1S/C12H19N3O2/c1-12(13,14-7-5-6-8-14)11(16)17-15-9-3-2-4-10-15/h5-8H,2-4,9-10,13H2,1H3/t12-/m1/s1
InChIKeyJKOTXUFYXIUQNW-GFCCVEGCSA-N
XLogP1.06
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate?
The IUPAC name of piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate (CID 174820553) is piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate.
What is the SMILES notation for piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate?
The canonical SMILES for piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate is C[C@](N)(C(=O)ON1CCCCC1)n1cccc1.
What is the InChIKey of piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate?
The InChIKey is JKOTXUFYXIUQNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(13,14-7-5-6-8-14)11(16)17-15-9-3-2-4-10-15/h5-8H,2-4,9-10,13H2,1H3/t12-/m1/s1.
What are the key properties of piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate?
piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate has a molecular weight of 237.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl (2R)-2-amino-2-pyrrol-1-ylpropanoate is sourced from PubChem (CID 174820553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).