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

C11H10Cl2N2O2 — CID 170356584

IUPAC2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
SMILESNC(Cc1c[nH]c2c(Cl)cc(Cl)cc12)C(=O)O
InChIInChI=1S/C11H10Cl2N2O2/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)
InChIKeyOMYSLJOHOBVXTK-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.43
Rot. Bonds3

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

2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid (PubChem CID 170356584) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
PubChem CID170356584
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
SMILESNC(Cc1c[nH]c2c(Cl)cc(Cl)cc12)C(=O)O
InChIInChI=1S/C11H10Cl2N2O2/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)
InChIKeyOMYSLJOHOBVXTK-UHFFFAOYSA-N
XLogP2.43
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.43
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
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142411299
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
CID 175064494
(2S)-2-amino-3-(6-chloro-4-hydroxy-1H-indol-3-yl)propanoic acid
CID 162744818
2-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 14535950
2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid
CID 134607267
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(7-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 122499498
(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid (CID 170356584) is 2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid is NC(Cc1c[nH]c2c(Cl)cc(Cl)cc12)C(=O)O.
What is the InChIKey of 2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid?
The InChIKey is OMYSLJOHOBVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/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-dichloro-1H-indol-3-yl)propanoic acid?
2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid has a molecular weight of 273.12 g/mol, XLogP of 2.43, 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-dichloro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 170356584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).