2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid

C10H16F3N3O5 — CID 170156919

IUPAC2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C1CNCCN1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N3O3.C2HF3O2/c1-5(8(13)14)11-7(12)6-4-9-2-3-10-6;3-2(4,5)1(6)7/h5-6,9-10H,2-4H2,1H3,(H,11,12)(H,13,14);(H,6,7)
InChIKeyMABCLCFIDWKSBR-UHFFFAOYSA-N
MW315.25 g/mol
LogP-1.23
Rot. Bonds3

About 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid

2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 170156919) has the molecular formula C10H16F3N3O5 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid
PubChem CID170156919
Molecular FormulaC10H16F3N3O5
Molecular Weight315.25 g/mol
Exact Mass315.10
IUPAC Name2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C1CNCCN1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N3O3.C2HF3O2/c1-5(8(13)14)11-7(12)6-4-9-2-3-10-6;3-2(4,5)1(6)7/h5-6,9-10H,2-4H2,1H3,(H,11,12)(H,13,14);(H,6,7)
InChIKeyMABCLCFIDWKSBR-UHFFFAOYSA-N
XLogP-1.23
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid (CID 170156919) is 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid is CC(NC(=O)C1CNCCN1)C(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is MABCLCFIDWKSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3.C2HF3O2/c1-5(8(13)14)11-7(12)6-4-9-2-3-10-6;3-2(4,5)1(6)7/h5-6,9-10H,2-4H2,1H3,(H,11,12)(H,13,14);(H,6,7).
What are the key properties of 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid?
2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 315.25 g/mol, XLogP of -1.23, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazine-2-carbonylamino)propanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170156919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).