2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid

C13H17NO2 — CID 114988661

IUPAC2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C13H17NO2/c1-13(2,12(15)16)14-11-7-6-9-4-3-5-10(9)8-11/h6-8,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyLRJHLZSQEYAUPO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.45
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid

2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid (PubChem CID 114988661) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
PubChem CID114988661
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
SMILESCC(C)(Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C13H17NO2/c1-13(2,12(15)16)14-11-7-6-9-4-3-5-10(9)8-11/h6-8,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyLRJHLZSQEYAUPO-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
CID 61261141
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
CID 115156870
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 82109369
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233603
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea
CID 27060599

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid (CID 114988661) is 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid is CC(C)(Nc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid?
The InChIKey is LRJHLZSQEYAUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,12(15)16)14-11-7-6-9-4-3-5-10(9)8-11/h6-8,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid?
2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid is sourced from PubChem (CID 114988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).