2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid

C8H16FNO2 — CID 105436909

IUPAC2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid
SMILESCCC(CN)(C(=O)O)C(C)(C)F
InChIInChI=1S/C8H16FNO2/c1-4-8(5-10,6(11)12)7(2,3)9/h4-5,10H2,1-3H3,(H,11,12)
InChIKeyUVLVDBHCMAXKJH-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.17
Rot. Bonds4

About 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid

2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid (PubChem CID 105436909) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid
PubChem CID105436909
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid
SMILESCCC(CN)(C(=O)O)C(C)(C)F
InChIInChI=1S/C8H16FNO2/c1-4-8(5-10,6(11)12)7(2,3)9/h4-5,10H2,1-3H3,(H,11,12)
InChIKeyUVLVDBHCMAXKJH-UHFFFAOYSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3-tetraethylbutanedioic acid
CID 23424098
2-fluoro-2-methylbutanoic acid
CID 11366977
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
CID 123370825
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-(aminomethyl)-3,3-difluorobutanoic acid
CID 105429828
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
CID 21063652
2,2-diethyl-3,3-dimethyl-4-phosphonobutanoic acid
CID 173238819
(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid
CID 87211555
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid (CID 105436909) is 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid is CCC(CN)(C(=O)O)C(C)(C)F.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid?
The InChIKey is UVLVDBHCMAXKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-4-8(5-10,6(11)12)7(2,3)9/h4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid?
2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid has a molecular weight of 177.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid is sourced from PubChem (CID 105436909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).