2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid

C11H10F2N2O2 — CID 15677225

IUPAC2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
SMILESNC(Cc1c[nH]c2c(F)cc(F)cc12)C(=O)O
InChIInChI=1S/C11H10F2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)
InChIKeyCGUGQOKZDNVVIL-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.40
Rot. Bonds3

About 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid

2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid (PubChem CID 15677225) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
PubChem CID15677225
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
SMILESNC(Cc1c[nH]c2c(F)cc(F)cc12)C(=O)O
InChIInChI=1S/C11H10F2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)
InChIKeyCGUGQOKZDNVVIL-UHFFFAOYSA-N
XLogP1.40
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-(5,7-difluoro-1H-indol-3-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

2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142411299
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 170356584
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
(2S)-2-amino-3-(7-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 122499498
2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid
CID 134607267
2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 68979143
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703
2-amino-3-(7-fluoro-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473693

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid (CID 15677225) is 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid is NC(Cc1c[nH]c2c(F)cc(F)cc12)C(=O)O.
What is the InChIKey of 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid?
The InChIKey is CGUGQOKZDNVVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17).
What are the key properties of 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid?
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid has a molecular weight of 240.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 15677225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).