2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid

C12H16N2O2 — CID 83860435

IUPAC2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESCc1ccc2c(c1C)NCC2C(N)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-6-3-4-8-9(10(13)12(15)16)5-14-11(8)7(6)2/h3-4,9-10,14H,5,13H2,1-2H3,(H,15,16)
InChIKeyRNBBSHPIOYMYPW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid

2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid (PubChem CID 83860435) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid
PubChem CID83860435
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESCc1ccc2c(c1C)NCC2C(N)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-6-3-4-8-9(10(13)12(15)16)5-14-11(8)7(6)2/h3-4,9-10,14H,5,13H2,1-2H3,(H,15,16)
InChIKeyRNBBSHPIOYMYPW-UHFFFAOYSA-N
XLogP1.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid
CID 83860241
(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)methanamine
CID 83860250
3,4,7,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 84618795
3-(7-methyl-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 83860344
2-amino-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanol
CID 83860422
2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83868516
3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84626312
3-amino-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82018918
16,17-dihydroxy-6,13-dimethyl-8,11-diazatricyclo[10.3.1.13,7]heptadeca-1(16),3(17),4,6,12,14-hexaene-2-carboxylic acid
CID 69304138
3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 83860347
(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 125041401
3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117204169

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid (CID 83860435) is 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid is Cc1ccc2c(c1C)NCC2C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
The InChIKey is RNBBSHPIOYMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-6-3-4-8-9(10(13)12(15)16)5-14-11(8)7(6)2/h3-4,9-10,14H,5,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid?
2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 83860435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).