2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid

C13H18N2O2 — CID 83860991

IUPAC2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid
SMILESCCc1ccc2c(c1)CC(C(N)C(=O)O)N2C
InChIInChI=1S/C13H18N2O2/c1-3-8-4-5-10-9(6-8)7-11(15(10)2)12(14)13(16)17/h4-6,11-12H,3,7,14H2,1-2H3,(H,16,17)
InChIKeyKGYGCLHCHGKQJA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds3

About 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid

2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid (PubChem CID 83860991) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid
PubChem CID83860991
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid
SMILESCCc1ccc2c(c1)CC(C(N)C(=O)O)N2C
InChIInChI=1S/C13H18N2O2/c1-3-8-4-5-10-9(6-8)7-11(15(10)2)12(14)13(16)17/h4-6,11-12H,3,7,14H2,1-2H3,(H,16,17)
InChIKeyKGYGCLHCHGKQJA-UHFFFAOYSA-N
XLogP1.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84623301
(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
CID 144701726
1-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)-N-methylmethanamine
CID 83860788
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
1-(6-ethyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623138
2-cyclopropyl-6-ethyl-1-methyl-3,4-dihydro-2H-quinoline
CID 146650258
3-(difluoromethyl)-7-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 176703012
2-(1,5-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine
CID 83860876
1-(1,2-dimethyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 117203180
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078
2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 71174187
2-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201245

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid (CID 83860991) is 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid is CCc1ccc2c(c1)CC(C(N)C(=O)O)N2C.
What is the InChIKey of 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid?
The InChIKey is KGYGCLHCHGKQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-8-4-5-10-9(6-8)7-11(15(10)2)12(14)13(16)17/h4-6,11-12H,3,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid?
2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid has a molecular weight of 234.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid is sourced from PubChem (CID 83860991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).