2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid

C12H21N3O3 — CID 61162529

IUPAC2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCNCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21N3O3/c1-12(11(17)18,9-2-3-9)14-10(16)8-15-6-4-13-5-7-15/h9,13H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRXGWNNDXYSBVMU-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.74
Rot. Bonds5

About 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid

2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid (PubChem CID 61162529) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
PubChem CID61162529
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCNCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21N3O3/c1-12(11(17)18,9-2-3-9)14-10(16)8-15-6-4-13-5-7-15/h9,13H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRXGWNNDXYSBVMU-UHFFFAOYSA-N
XLogP-0.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid (CID 61162529) is 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid is CC(NC(=O)CN1CCNCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The InChIKey is RXGWNNDXYSBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(11(17)18,9-2-3-9)14-10(16)8-15-6-4-13-5-7-15/h9,13H,2-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 61162529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).