3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid

C11H14N2O2 — CID 114456211

IUPAC3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
SMILESNc1cccc2c1N(CCC(=O)O)CC2
InChIInChI=1S/C11H14N2O2/c12-9-3-1-2-8-4-6-13(11(8)9)7-5-10(14)15/h1-3H,4-7,12H2,(H,14,15)
InChIKeyPLFIHXBDQBKKHA-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.11
Rot. Bonds3

About 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid

3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid (PubChem CID 114456211) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
PubChem CID114456211
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
SMILESNc1cccc2c1N(CCC(=O)O)CC2
InChIInChI=1S/C11H14N2O2/c12-9-3-1-2-8-4-6-13(11(8)9)7-5-10(14)15/h1-3H,4-7,12H2,(H,14,15)
InChIKeyPLFIHXBDQBKKHA-UHFFFAOYSA-N
XLogP1.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
1-hept-6-enyl-2,3-dihydroindol-7-amine
CID 107008081
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid?
The IUPAC name of 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid (CID 114456211) is 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid?
The canonical SMILES for 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid is Nc1cccc2c1N(CCC(=O)O)CC2.
What is the InChIKey of 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid?
The InChIKey is PLFIHXBDQBKKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9-3-1-2-8-4-6-13(11(8)9)7-5-10(14)15/h1-3H,4-7,12H2,(H,14,15).
What are the key properties of 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid?
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid is sourced from PubChem (CID 114456211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).