2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid

C10H16F3NO4 — CID 22111907

IUPAC2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CNC1CCCCC1
InChIInChI=1S/C8H15NO2.C2HF3O2/c10-8(11)6-9-7-4-2-1-3-5-7;3-2(4,5)1(6)7/h7,9H,1-6H2,(H,10,11);(H,6,7)
InChIKeyKAGCEKSRROMTJK-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.63
Rot. Bonds3

About 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid

2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 22111907) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID22111907
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CNC1CCCCC1
InChIInChI=1S/C8H15NO2.C2HF3O2/c10-8(11)6-9-7-4-2-1-3-5-7;3-2(4,5)1(6)7/h7,9H,1-6H2,(H,10,11);(H,6,7)
InChIKeyKAGCEKSRROMTJK-UHFFFAOYSA-N
XLogP1.63
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid (CID 22111907) is 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is KAGCEKSRROMTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2HF3O2/c10-8(11)6-9-7-4-2-1-3-5-7;3-2(4,5)1(6)7/h7,9H,1-6H2,(H,10,11);(H,6,7).
What are the key properties of 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid?
2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 271.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22111907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).