2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid

C13H17NO2 — CID 83837146

IUPAC2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC1CCc2ccc(CC(N)C(=O)O)cc21
InChIInChI=1S/C13H17NO2/c1-8-2-4-10-5-3-9(6-11(8)10)7-12(14)13(15)16/h3,5-6,8,12H,2,4,7,14H2,1H3,(H,15,16)
InChIKeyADKKNBXIXODIMK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid

2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid (PubChem CID 83837146) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
PubChem CID83837146
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC1CCc2ccc(CC(N)C(=O)O)cc21
InChIInChI=1S/C13H17NO2/c1-8-2-4-10-5-3-9(6-11(8)10)7-12(14)13(15)16/h3,5-6,8,12H,2,4,7,14H2,1H3,(H,15,16)
InChIKeyADKKNBXIXODIMK-UHFFFAOYSA-N
XLogP1.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117281618
2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid
CID 143703884
2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 163969810
2-amino-3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82389430
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679
2-amino-3-[4-hydroxy-3-[(1R)-2-methylcyclopropyl]oxyphenyl]propanoic acid
CID 163965464
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 83827545
2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 138399318
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
CID 55297813

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid (CID 83837146) is 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid is CC1CCc2ccc(CC(N)C(=O)O)cc21.
What is the InChIKey of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The InChIKey is ADKKNBXIXODIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-2-4-10-5-3-9(6-11(8)10)7-12(14)13(15)16/h3,5-6,8,12H,2,4,7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid is sourced from PubChem (CID 83837146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).