2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid

C13H15ClN2O2 — CID 71169916

IUPAC2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid
SMILESCc1cc(Cl)c2c(c1)c(CC(N)C(=O)O)cn2C
InChIInChI=1S/C13H15ClN2O2/c1-7-3-9-8(5-11(15)13(17)18)6-16(2)12(9)10(14)4-7/h3-4,6,11H,5,15H2,1-2H3,(H,17,18)
InChIKeyIIXQVDVQCPRBBS-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.09
Rot. Bonds3

About 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid

2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid (PubChem CID 71169916) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid
PubChem CID71169916
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid
SMILESCc1cc(Cl)c2c(c1)c(CC(N)C(=O)O)cn2C
InChIInChI=1S/C13H15ClN2O2/c1-7-3-9-8(5-11(15)13(17)18)6-16(2)12(9)10(14)4-7/h3-4,6,11H,5,15H2,1-2H3,(H,17,18)
InChIKeyIIXQVDVQCPRBBS-UHFFFAOYSA-N
XLogP2.09
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
CID 130839032
2-amino-3-(7-ethynyl-1-methylindol-3-yl)propanoic acid
CID 122499531
2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
CID 142339146
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane
CID 145142529
3-[2-(2-amino-2-carboxyethyl)-4,5-dichlorophenyl]-2-methylpropanoic acid
CID 18956366
2-amino-3-(7-fluoro-1,3-dimethylindol-5-yl)propanoic acid
CID 115003704
2-amino-3-(5-chloro-2,3-dimethoxy-4-methylphenyl)propanoic acid
CID 117437019
2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid
CID 82666863
2-amino-3-(2,3,4,5-tetrachlorophenyl)propanoic acid
CID 86089013
2-amino-3-(1-methyl-6-pyridin-4-ylindol-3-yl)propanoic acid
CID 134259607

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid (CID 71169916) is 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid is Cc1cc(Cl)c2c(c1)c(CC(N)C(=O)O)cn2C.
What is the InChIKey of 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid?
The InChIKey is IIXQVDVQCPRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-7-3-9-8(5-11(15)13(17)18)6-16(2)12(9)10(14)4-7/h3-4,6,11H,5,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid?
2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid has a molecular weight of 266.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid is sourced from PubChem (CID 71169916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).