(2S)-3-amino-2-fluoropropanoic acid

C3H6FNO2 — CID 6999943

IUPAC(2S)-3-amino-2-fluoropropanoic acid
SMILESNC[C@H](F)C(=O)O
InChIInChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKeyOJQNRNQELNLWHH-REOHCLBHSA-N
MW107.08 g/mol
LogP-0.63
Rot. Bonds2

About (2S)-3-amino-2-fluoropropanoic acid

(2S)-3-amino-2-fluoropropanoic acid (PubChem CID 6999943) has the molecular formula C3H6FNO2 and a molecular weight of 107.08 g/mol. Its IUPAC name is (2S)-3-amino-2-fluoropropanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-fluoropropanoic acid
PubChem CID6999943
Molecular FormulaC3H6FNO2
Molecular Weight107.08 g/mol
Exact Mass107.04
IUPAC Name(2S)-3-amino-2-fluoropropanoic acid
SMILESNC[C@H](F)C(=O)O
InChIInChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKeyOJQNRNQELNLWHH-REOHCLBHSA-N
XLogP-0.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-amino-2-fluoropropanoic 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

Beta-Alanine
CID 239
alpha-Fluoro-beta-alanine
CID 13351
Fluoro-beta-alanine hydrochloride
CID 13350
beta-Alanine Hydroiodide (Low water content)
CID 132274950
beta-Alanine Hydrochloride
CID 12201475
3-(Hydroxyamino)propanoic acid
CID 10129916
2-Fluoro-beta-alanine Hydrochloride
CID 44630296
3-Amino-2,2-difluoropropanoic acid hydrochloride
CID 50998843
(2R)-3-amino-2-fluoropropanoic acid hydrochloride
CID 121553132
3-Amino-2,2-difluoropropanoic acid
CID 2756405
3-Amino-3-fluoropropanoic acid
CID 22311168
Fluoro-beta-alanine
CID 22665129

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-fluoropropanoic acid?
The IUPAC name of (2S)-3-amino-2-fluoropropanoic acid (CID 6999943) is (2S)-3-amino-2-fluoropropanoic acid.
What is the SMILES notation for (2S)-3-amino-2-fluoropropanoic acid?
The canonical SMILES for (2S)-3-amino-2-fluoropropanoic acid is NC[C@H](F)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-fluoropropanoic acid?
The InChIKey is OJQNRNQELNLWHH-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1.
What are the key properties of (2S)-3-amino-2-fluoropropanoic acid?
(2S)-3-amino-2-fluoropropanoic acid has a molecular weight of 107.08 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-fluoropropanoic acid is sourced from PubChem (CID 6999943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).