2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid

C12H15NO2 — CID 13406794

IUPAC2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid
SMILESNC(Cc1cccc2c1CCC2)C(=O)O
InChIInChI=1S/C12H15NO2/c13-11(12(14)15)7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,11H,2,4,6-7,13H2,(H,14,15)
InChIKeyNNPQNWYOZJCUBM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid

2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid (PubChem CID 13406794) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid
PubChem CID13406794
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid
SMILESNC(Cc1cccc2c1CCC2)C(=O)O
InChIInChI=1S/C12H15NO2/c13-11(12(14)15)7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,11H,2,4,6-7,13H2,(H,14,15)
InChIKeyNNPQNWYOZJCUBM-UHFFFAOYSA-N
XLogP1.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-(2,3-dihydro-1H-inden-4-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

Related Compounds

2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 104512952
(2R)-2-amino-2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 130783768
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
(2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid
CID 125361978
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
CID 138535602
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid (CID 13406794) is 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid is NC(Cc1cccc2c1CCC2)C(=O)O.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid?
The InChIKey is NNPQNWYOZJCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(12(14)15)7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,11H,2,4,6-7,13H2,(H,14,15).
What are the key properties of 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid?
2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid is sourced from PubChem (CID 13406794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).