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

C13H16N2O2 — CID 82475185

IUPAC2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-8-11(12(14-2)13(16)17)9-6-4-5-7-10(9)15(8)3/h4-7,12,14H,1-3H3,(H,16,17)
InChIKeySYFPSQUWTLICSM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.83
Rot. Bonds3

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

2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid (PubChem CID 82475185) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
PubChem CID82475185
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-8-11(12(14-2)13(16)17)9-6-4-5-7-10(9)15(8)3/h4-7,12,14H,1-3H3,(H,16,17)
InChIKeySYFPSQUWTLICSM-UHFFFAOYSA-N
XLogP1.83
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
CID 82483496
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
CID 82488583
methyl 2-(1,2-dimethylindol-3-yl)-3,3,3-trifluoropropanoate
CID 75530069
1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one
CID 82300709
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
1-(1,2-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 82294421
3-cyclobutyl-3-(1,2-dimethylindol-3-yl)propanoic acid
CID 82277340
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
2-(4-chlorophenyl)-2-(1,2-dimethylindol-3-yl)ethanol
CID 24786422
methyl (2R,3R)-3-(1,2-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate
CID 14152083
2-[(1,2-dimethylindol-3-yl)sulfonyl-methylamino]propanoic acid
CID 122069004

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid (CID 82475185) is 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid?
The InChIKey is SYFPSQUWTLICSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-11(12(14-2)13(16)17)9-6-4-5-7-10(9)15(8)3/h4-7,12,14H,1-3H3,(H,16,17).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid?
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid is sourced from PubChem (CID 82475185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).