(4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid

C10H10FNO3 — CID 13298592

IUPAC(4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO3/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4,12H2,(H,13,14)/t10-/m0/s1
InChIKeyFATKFOJBJPZZED-JTQLQIEISA-N
MW211.19 g/mol
LogP0.85
Rot. Bonds1

About (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid

(4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid (PubChem CID 13298592) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid
PubChem CID13298592
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO3/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4,12H2,(H,13,14)/t10-/m0/s1
InChIKeyFATKFOJBJPZZED-JTQLQIEISA-N
XLogP0.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic 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-(4-Ethoxyphenyl)alanine
CID 2835324
(4-amino-3,4-dihydro-2H-1-benzopyran-4-yl)methanol
CID 61054620
6-Fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
CID 13953799
(2R,4S)-4-amino-6-fluoro-2-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 13831453
methyl (2R,4S)-4-amino-6-fluoro-2-methyl-2,3-dihydrochromene-4-carboxylate
CID 13831456
(2R,4R)-4-Amino-6-fluoro-2-methylchroman-4-carboxylic acid
CID 57626396
(2'R,4R)-6'-fluoro-2'-methyl-2-phenylspiro[1,3-oxazole-4,4'-2,3-dihydrochromene]-5-one
CID 68015328
8-fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
CID 82076108
4-Amino-4-carboxychroman-2-one
CID 57358119
(4S)-4-amino-2-oxo-3H-chromene-4-carboxylic acid
CID 163187192
(R)-2-Amino-2-(2-methoxyphenyl)acetic acid
CID 1515295
4-amino-2,2-dimethyl-chroman-4,7-dicarboxylic Acid
CID 11777615

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
The IUPAC name of (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid (CID 13298592) is (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid.
What is the SMILES notation for (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
The canonical SMILES for (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid is N[C@@]1(C(=O)O)CCOc2ccc(F)cc21.
What is the InChIKey of (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
The InChIKey is FATKFOJBJPZZED-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10FNO3/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4,12H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid?
(4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid has a molecular weight of 211.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-6-fluoro-2,3-dihydrochromene-4-carboxylic acid is sourced from PubChem (CID 13298592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).