2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid

C15H18N2O3 — CID 82489066

IUPAC2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
SMILESCc1c(C(=O)CN(C)CC(=O)O)c2ccccc2n1C
InChIInChI=1S/C15H18N2O3/c1-10-15(13(18)8-16(2)9-14(19)20)11-6-4-5-7-12(11)17(10)3/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyDFMLJDSLNRGQDE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.69
Rot. Bonds5

About 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid

2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid (PubChem CID 82489066) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
PubChem CID82489066
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
SMILESCc1c(C(=O)CN(C)CC(=O)O)c2ccccc2n1C
InChIInChI=1S/C15H18N2O3/c1-10-15(13(18)8-16(2)9-14(19)20)11-6-4-5-7-12(11)17(10)3/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyDFMLJDSLNRGQDE-UHFFFAOYSA-N
XLogP1.69
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-(1,2-dimethylindol-3-yl)hexan-1-one
CID 54117287
2-[(1,2-dimethylindol-3-yl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072175
2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302
1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one
CID 110180074
2-[(1,2-dimethylindol-3-yl)sulfonyl-propylamino]acetic acid
CID 122071246
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
1-(1,2-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 82294421
2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one
CID 135542792
2-[2-methyl-3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861230
1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone
CID 91404494

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid (CID 82489066) is 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid is Cc1c(C(=O)CN(C)CC(=O)O)c2ccccc2n1C.
What is the InChIKey of 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is DFMLJDSLNRGQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-15(13(18)8-16(2)9-14(19)20)11-6-4-5-7-12(11)17(10)3/h4-7H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid?
2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 82489066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).