2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid

C16H22FNO2 — CID 114832131

IUPAC2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(F)c1)(NC1CCCCC1)C(=O)O
InChIInChI=1S/C16H22FNO2/c1-16(15(19)20,18-14-8-3-2-4-9-14)11-12-6-5-7-13(17)10-12/h5-7,10,14,18H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyJKVGVHLOTKDAJU-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.13
Rot. Bonds5

About 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid

2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid (PubChem CID 114832131) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
PubChem CID114832131
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(F)c1)(NC1CCCCC1)C(=O)O
InChIInChI=1S/C16H22FNO2/c1-16(15(19)20,18-14-8-3-2-4-9-14)11-12-6-5-7-13(17)10-12/h5-7,10,14,18H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyJKVGVHLOTKDAJU-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
3-(3-fluorophenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 114832162
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
CID 114831942
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
3-(3-fluorophenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid
CID 84752388
(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
CID 10799935
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid (CID 114832131) is 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid is CC(Cc1cccc(F)c1)(NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
The InChIKey is JKVGVHLOTKDAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(15(19)20,18-14-8-3-2-4-9-14)11-12-6-5-7-13(17)10-12/h5-7,10,14,18H,2-4,8-9,11H2,1H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid?
2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid has a molecular weight of 279.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 114832131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).