2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid

C20H22N2O2 — CID 174117234

IUPAC2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid
SMILESCc1cc(-c2ccccc2)cc2c1c(CC(N)C(=O)O)c(C)n2C
InChIInChI=1S/C20H22N2O2/c1-12-9-15(14-7-5-4-6-8-14)10-18-19(12)16(13(2)22(18)3)11-17(21)20(23)24/h4-10,17H,11,21H2,1-3H3,(H,23,24)
InChIKeyPEILGPYZERJOGE-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.42
Rot. Bonds4

About 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid

2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid (PubChem CID 174117234) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid
PubChem CID174117234
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid
SMILESCc1cc(-c2ccccc2)cc2c1c(CC(N)C(=O)O)c(C)n2C
InChIInChI=1S/C20H22N2O2/c1-12-9-15(14-7-5-4-6-8-14)10-18-19(12)16(13(2)22(18)3)11-17(21)20(23)24/h4-10,17H,11,21H2,1-3H3,(H,23,24)
InChIKeyPEILGPYZERJOGE-UHFFFAOYSA-N
XLogP3.42
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(6-amino-1,2-dimethyl-4-nitroindol-3-yl)propanoic acid
CID 122473822
2-amino-3-(1,2-dimethyl-5-pyridin-4-ylindol-3-yl)propanoic acid
CID 126584122
2-amino-3-(5-chloro-1,2-dimethylindol-3-yl)propanoic acid
CID 122499642
2-amino-3-(1,2-dimethyl-6-methylsulfanylindol-3-yl)propanoic acid
CID 122499629
2-amino-3-(5-amino-1,2-dimethyl-4-nitroindol-3-yl)propanoic acid
CID 122473907
2-amino-3-(6-ethenyl-1,2-dimethyl-4-nitroindol-3-yl)propanoic acid
CID 122473712
2-amino-3-(5-methoxy-1,2-dimethyl-4-nitroindol-3-yl)propanoic acid
CID 122473961
2-amino-3-(1,2,6-trimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
CID 83984309
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid (CID 174117234) is 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid is Cc1cc(-c2ccccc2)cc2c1c(CC(N)C(=O)O)c(C)n2C.
What is the InChIKey of 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid?
The InChIKey is PEILGPYZERJOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-9-15(14-7-5-4-6-8-14)10-18-19(12)16(13(2)22(18)3)11-17(21)20(23)24/h4-10,17H,11,21H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid?
2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid has a molecular weight of 322.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,4-trimethyl-6-phenylindol-3-yl)propanoic acid is sourced from PubChem (CID 174117234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).