2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

C10H15F3N2O5 — CID 162326543

IUPAC2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O3.C2HF3O2/c9-8(13)6-1-3-10(4-2-6)5-7(11)12;3-2(4,5)1(6)7/h6H,1-5H2,(H2,9,13)(H,11,12);(H,6,7)
InChIKeyMJGTUTVJCDCLFO-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.10
Rot. Bonds3

About 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 162326543) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID162326543
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O3.C2HF3O2/c9-8(13)6-1-3-10(4-2-6)5-7(11)12;3-2(4,5)1(6)7/h6H,1-5H2,(H2,9,13)(H,11,12);(H,6,7)
InChIKeyMJGTUTVJCDCLFO-UHFFFAOYSA-N
XLogP-0.10
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (CID 162326543) is 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is NC(=O)C1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is MJGTUTVJCDCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.C2HF3O2/c9-8(13)6-1-3-10(4-2-6)5-7(11)12;3-2(4,5)1(6)7/h6H,1-5H2,(H2,9,13)(H,11,12);(H,6,7).
What are the key properties of 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 300.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162326543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).