(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid

C7H8FNO2S — CID 130682565

IUPAC(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(F)s1
InChIInChI=1S/C7H8FNO2S/c8-6-2-1-5(12-6)4(9)3-7(10)11/h1-2,4H,3,9H2,(H,10,11)/t4-/m1/s1
InChIKeyBCOFJFKQPPJJIV-SCSAIBSYSA-N
MW189.21 g/mol
LogP1.36
Rot. Bonds3

About (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid

(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid (PubChem CID 130682565) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid
PubChem CID130682565
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(F)s1
InChIInChI=1S/C7H8FNO2S/c8-6-2-1-5(12-6)4(9)3-7(10)11/h1-2,4H,3,9H2,(H,10,11)/t4-/m1/s1
InChIKeyBCOFJFKQPPJJIV-SCSAIBSYSA-N
XLogP1.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-3-(5-fluorothiophen-2-yl)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-(5-fluorothiophen-2-yl)propan-1-ol
CID 130898203
(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid
CID 130675880
3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid
CID 170872483
3-amino-3-(5-benzylthiophen-2-yl)propanoic acid
CID 135367524
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
(3S)-3-amino-3-[5-[(2-methylphenyl)methyl]thiophen-2-yl]propanoic acid
CID 135366831
1-(5-fluorothiophen-2-yl)ethanamine;hydrochloride
CID 91927262
3-amino-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]propanoic acid
CID 135366929
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
(3R)-3-amino-3-(2,3,6-trifluorophenyl)propanoic acid;hydrochloride
CID 162344590
3-amino-3-(4-phenylthiophen-2-yl)propanoic acid
CID 53417380
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid (CID 130682565) is (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid is N[C@H](CC(=O)O)c1ccc(F)s1.
What is the InChIKey of (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid?
The InChIKey is BCOFJFKQPPJJIV-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c8-6-2-1-5(12-6)4(9)3-7(10)11/h1-2,4H,3,9H2,(H,10,11)/t4-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid?
(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid is sourced from PubChem (CID 130682565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).