2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid

C12H16N2O2 — CID 82392679

IUPAC2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
SMILESCN1CCc2ccc(CC(N)C(=O)O)cc21
InChIInChI=1S/C12H16N2O2/c1-14-5-4-9-3-2-8(7-11(9)14)6-10(13)12(15)16/h2-3,7,10H,4-6,13H2,1H3,(H,15,16)
InChIKeyAQGUDNMAHYGZEK-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.63
Rot. Bonds3

About 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid

2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid (PubChem CID 82392679) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
PubChem CID82392679
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
SMILESCN1CCc2ccc(CC(N)C(=O)O)cc21
InChIInChI=1S/C12H16N2O2/c1-14-5-4-9-3-2-8(7-11(9)14)6-10(13)12(15)16/h2-3,7,10H,4-6,13H2,1H3,(H,15,16)
InChIKeyAQGUDNMAHYGZEK-UHFFFAOYSA-N
XLogP0.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 170880224
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105876
2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 83837146
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 163969810
(2R)-2-amino-3-(3-borono-4-chlorophenyl)propanoic acid
CID 167431310
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520
methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
CID 170884527
2-amino-3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82389430
N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid (CID 82392679) is 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid is CN1CCc2ccc(CC(N)C(=O)O)cc21.
What is the InChIKey of 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid?
The InChIKey is AQGUDNMAHYGZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-5-4-9-3-2-8(7-11(9)14)6-10(13)12(15)16/h2-3,7,10H,4-6,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid?
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid is sourced from PubChem (CID 82392679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).