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

C12H15NO3 — CID 167179396

IUPAC3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
SMILESNC1Cc2cc(O)ccc2C1CCC(=O)O
InChIInChI=1S/C12H15NO3/c13-11-6-7-5-8(14)1-2-9(7)10(11)3-4-12(15)16/h1-2,5,10-11,14H,3-4,6,13H2,(H,15,16)
InChIKeyUZEVBMWMPAZDKV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.22
Rot. Bonds3

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

3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid (PubChem CID 167179396) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
PubChem CID167179396
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
SMILESNC1Cc2cc(O)ccc2C1CCC(=O)O
InChIInChI=1S/C12H15NO3/c13-11-6-7-5-8(14)1-2-9(7)10(11)3-4-12(15)16/h1-2,5,10-11,14H,3-4,6,13H2,(H,15,16)
InChIKeyUZEVBMWMPAZDKV-UHFFFAOYSA-N
XLogP1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The IUPAC name of 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid (CID 167179396) is 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The canonical SMILES for 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid is NC1Cc2cc(O)ccc2C1CCC(=O)O.
What is the InChIKey of 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The InChIKey is UZEVBMWMPAZDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-11-6-7-5-8(14)1-2-9(7)10(11)3-4-12(15)16/h1-2,5,10-11,14H,3-4,6,13H2,(H,15,16).
What are the key properties of 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid?
3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid is sourced from PubChem (CID 167179396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).