3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid

C15H21NO2 — CID 65061323

IUPAC3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C1CCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-16(10-11(2)15(17)18)14-9-8-12-6-4-5-7-13(12)14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyLJPCRHKOOFTRNQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds5

About 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid

3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 65061323) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid
PubChem CID65061323
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C1CCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-3-16(10-11(2)15(17)18)14-9-8-12-6-4-5-7-13(12)14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyLJPCRHKOOFTRNQ-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic 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-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
3-[3,4-dihydro-1H-isochromene-1-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827746
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122015918
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
N-(2,3-dihydro-1H-inden-1-yl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79195999
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
(2S)-3-[cyclopropyl-[(1R)-3,4-dihydro-1H-isothiochromene-1-carbonyl]amino]-2-methylpropanoic acid
CID 124690858

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid (CID 65061323) is 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C1CCc2ccccc21.
What is the InChIKey of 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is LJPCRHKOOFTRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(10-11(2)15(17)18)14-9-8-12-6-4-5-7-13(12)14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid?
3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).