3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid

C17H24N2O3 — CID 122015918

IUPAC3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NCCC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-12(16(20)21)11-19(2)17(22)18-10-9-14-8-7-13-5-3-4-6-15(13)14/h3-6,12,14H,7-11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyDNCUFQVCJHPROM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.47
Rot. Bonds6

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

3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122015918) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122015918
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NCCC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-12(16(20)21)11-19(2)17(22)18-10-9-14-8-7-13-5-3-4-6-15(13)14/h3-6,12,14H,7-11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyDNCUFQVCJHPROM-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122013267
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide
CID 166367622
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid
CID 65061323
4-N-cyclopropyl-1-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 166235755
3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 64694951
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
CID 124705366
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689
1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015917
3-[2-(2-ethoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 122015918) is 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)NCCC1CCc2ccccc21)C(=O)O.
What is the InChIKey of 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is DNCUFQVCJHPROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(16(20)21)11-19(2)17(22)18-10-9-14-8-7-13-5-3-4-6-15(13)14/h3-6,12,14H,7-11H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122015918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).