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

C11H11ClF2N2O2 — CID 142411299

IUPAC2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1c[nH]c2c(F)cc(F)cc12)C(=O)O
InChIInChI=1S/C11H10F2N2O2.ClH/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);1H
InChIKeyGBEQWKBXMXQNBK-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.82
Rot. Bonds3

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

2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride (PubChem CID 142411299) has the molecular formula C11H11ClF2N2O2 and a molecular weight of 276.67 g/mol. Its IUPAC name is 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
PubChem CID142411299
Molecular FormulaC11H11ClF2N2O2
Molecular Weight276.67 g/mol
Exact Mass276.05
IUPAC Name2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1c[nH]c2c(F)cc(F)cc12)C(=O)O
InChIInChI=1S/C11H10F2N2O2.ClH/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);1H
InChIKeyGBEQWKBXMXQNBK-UHFFFAOYSA-N
XLogP1.82
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
CID 15677225
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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
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
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
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(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride (CID 142411299) is 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is GBEQWKBXMXQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2.ClH/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);1H.
What are the key properties of 2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride?
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride has a molecular weight of 276.67 g/mol, XLogP of 1.82, 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;hydrochloride is sourced from PubChem (CID 142411299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).