3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid

C11H14FNO2 — CID 117301399

IUPAC3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid
SMILESCCc1cc(C(N)CC(=O)O)ccc1F
InChIInChI=1S/C11H14FNO2/c1-2-7-5-8(3-4-9(7)12)10(13)6-11(14)15/h3-5,10H,2,6,13H2,1H3,(H,14,15)
InChIKeyNCCAOQWPNRSVEI-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid

3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid (PubChem CID 117301399) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid
PubChem CID117301399
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid
SMILESCCc1cc(C(N)CC(=O)O)ccc1F
InChIInChI=1S/C11H14FNO2/c1-2-7-5-8(3-4-9(7)12)10(13)6-11(14)15/h3-5,10H,2,6,13H2,1H3,(H,14,15)
InChIKeyNCCAOQWPNRSVEI-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic 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

(3S)-3-amino-3-(4-fluoro-3-iodophenyl)propanoic acid
CID 131224032
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide
CID 174935651
3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
CID 79021977
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
CID 52950301
(2S)-2-(3-ethyl-4-fluorophenyl)-3-oxopropanoic acid
CID 97303906
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
[5-(1-aminopropyl)-2-fluorophenyl]methanol
CID 55283310
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
CID 135367196

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid (CID 117301399) is 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid is CCc1cc(C(N)CC(=O)O)ccc1F.
What is the InChIKey of 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid?
The InChIKey is NCCAOQWPNRSVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-7-5-8(3-4-9(7)12)10(13)6-11(14)15/h3-5,10H,2,6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid?
3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid is sourced from PubChem (CID 117301399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).