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

C10H18FNO2 — CID 123573302

IUPAC3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid
SMILESCC(F)(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C10H18FNO2/c1-10(11,9(13)14)7-12-8-5-3-2-4-6-8/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyHNOBYGCPAQEKTD-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.72
Rot. Bonds4

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

3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid (PubChem CID 123573302) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid
PubChem CID123573302
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid
SMILESCC(F)(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C10H18FNO2/c1-10(11,9(13)14)7-12-8-5-3-2-4-6-8/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyHNOBYGCPAQEKTD-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexylaminopropionic acid
CID 33631
3-(Cyclohexylamino)propanoic acid hydrochloride
CID 137971686
3-(Cyclohexylamino)butanoic acid
CID 13200145
3-(Cyclohexylamino)-2-methylpropanoic acid
CID 13859967
r-3-(2-Heptylamino)-propionic acid
CID 23591248
2,4,4-Trifluoro-3-(hexylamino)butanoic acid
CID 20479072
Ethyl 3-(cyclohexylamino)-2-fluoro-2-methylpropanoate
CID 57955635
3-(Cyclopentylamino)-2-fluoro-2-methylpropanoic acid
CID 123298897
2-[(Cyclopentylamino)methyl]-2-fluorobutanoic acid
CID 123315921
3-(Cyclohexylamino)-2,2-difluoropropanoic acid
CID 123383254
2-[(Cyclohexylamino)methyl]-3-fluoro-2-(fluoromethyl)propanoic acid
CID 150445731
Ethyl 3-(cyclohexylamino)-3-fluoro-2-methylpropanoate
CID 174680585

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid?
The IUPAC name of 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid (CID 123573302) is 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid.
What is the SMILES notation for 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid?
The canonical SMILES for 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid is CC(F)(CNC1CCCCC1)C(=O)O.
What is the InChIKey of 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid?
The InChIKey is HNOBYGCPAQEKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(11,9(13)14)7-12-8-5-3-2-4-6-8/h8,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid?
3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid has a molecular weight of 203.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-fluoro-2-methylpropanoic acid is sourced from PubChem (CID 123573302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).