2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid

C14H20N2O2 — CID 170880224

IUPAC2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
SMILESCC(C)N1CCc2cc(CC(N)C(=O)O)ccc21
InChIInChI=1S/C14H20N2O2/c1-9(2)16-6-5-11-7-10(3-4-13(11)16)8-12(15)14(17)18/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyXTKGGBWWOXHQAK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid

2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid (PubChem CID 170880224) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
PubChem CID170880224
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
SMILESCC(C)N1CCc2cc(CC(N)C(=O)O)ccc21
InChIInChI=1S/C14H20N2O2/c1-9(2)16-6-5-11-7-10(3-4-13(11)16)8-12(15)14(17)18/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyXTKGGBWWOXHQAK-UHFFFAOYSA-N
XLogP1.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105876
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679
methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
CID 170884528
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
CID 170884527
(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
CID 66510884
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2R)-2-amino-3-(3-borono-4-chlorophenyl)propanoic acid
CID 167431310

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid (CID 170880224) is 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid is CC(C)N1CCc2cc(CC(N)C(=O)O)ccc21.
What is the InChIKey of 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
The InChIKey is XTKGGBWWOXHQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)16-6-5-11-7-10(3-4-13(11)16)8-12(15)14(17)18/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid is sourced from PubChem (CID 170880224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).