3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid

C9H19N3O2 — CID 101205272

IUPAC3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid
SMILESNCC[C@@H]1CN[C@H](CCC(=O)O)CN1
InChIInChI=1S/C9H19N3O2/c10-4-3-8-6-11-7(5-12-8)1-2-9(13)14/h7-8,11-12H,1-6,10H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyOZRBNEHBVRZCAH-HTQZYQBOSA-N
MW201.27 g/mol
LogP-0.87
Rot. Bonds5

About 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid

3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid (PubChem CID 101205272) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid
PubChem CID101205272
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid
SMILESNCC[C@@H]1CN[C@H](CCC(=O)O)CN1
InChIInChI=1S/C9H19N3O2/c10-4-3-8-6-11-7(5-12-8)1-2-9(13)14/h7-8,11-12H,1-6,10H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyOZRBNEHBVRZCAH-HTQZYQBOSA-N
XLogP-0.87
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid (CID 101205272) is 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid is NCC[C@@H]1CN[C@H](CCC(=O)O)CN1.
What is the InChIKey of 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid?
The InChIKey is OZRBNEHBVRZCAH-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-4-3-8-6-11-7(5-12-8)1-2-9(13)14/h7-8,11-12H,1-6,10H2,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid?
3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid is sourced from PubChem (CID 101205272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).