2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid

C12H20F3NO4 — CID 70021920

IUPAC2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESNC(CCC1CCCCC1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19NO2.C2HF3O2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h8-9H,1-7,11H2,(H,12,13);(H,6,7)
InChIKeyJMNGSLHXPRJBBW-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid

2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 70021920) has the molecular formula C12H20F3NO4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
PubChem CID70021920
Molecular FormulaC12H20F3NO4
Molecular Weight299.29 g/mol
Exact Mass299.13
IUPAC Name2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESNC(CCC1CCCCC1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19NO2.C2HF3O2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h8-9H,1-7,11H2,(H,12,13);(H,6,7)
InChIKeyJMNGSLHXPRJBBW-UHFFFAOYSA-N
XLogP2.39
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-cyclopentylethylamino)butanoic acid
CID 115241359
2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
CID 164530886
(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
CID 157381240
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
2-amino-4-cyclobutylbutanamide
CID 131227587
4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentanoic acid
CID 19840695
2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244
5-cyclohexyl-2-methylpent-1-en-3-amine
CID 105005114
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
CID 142227816

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid (CID 70021920) is 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid is NC(CCC1CCCCC1)C(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is JMNGSLHXPRJBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2HF3O2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h8-9H,1-7,11H2,(H,12,13);(H,6,7).
What are the key properties of 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid?
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 299.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70021920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).