2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid

C15H21NO2 — CID 118753264

IUPAC2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid
SMILESCCc1cc2c(cc1CC)CC(NCC(=O)O)C2
InChIInChI=1S/C15H21NO2/c1-3-10-5-12-7-14(16-9-15(17)18)8-13(12)6-11(10)4-2/h5-6,14,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyKGQOVDZGKWREBH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.95
Rot. Bonds5

About 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid

2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid (PubChem CID 118753264) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid
PubChem CID118753264
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid
SMILESCCc1cc2c(cc1CC)CC(NCC(=O)O)C2
InChIInChI=1S/C15H21NO2/c1-3-10-5-12-7-14(16-9-15(17)18)8-13(12)6-11(10)4-2/h5-6,14,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyKGQOVDZGKWREBH-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Indanylglycine
CID 9990113
N-(1-indanyl)glycine
CID 13100818
N-(2-indanyl)glycine ethyl ester hydrochloride
CID 13132277
2-[cyclopropyl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 64283243
2-trifluoromethyl-7-(N-carboxymethylamino)-6,7,8,9-tetrahydro-[5H]-benzocycloheptene
CID 14502070
2-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]pentanoic acid
CID 69168934
2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid
CID 69168936
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid
CID 69323534
2-[1-[3-Methyl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
CID 155159630
2-[1-[3-Propan-2-yl-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
CID 167089219
3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175825361
Indenyl-glycine
CID 17605784

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid (CID 118753264) is 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid is CCc1cc2c(cc1CC)CC(NCC(=O)O)C2.
What is the InChIKey of 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The InChIKey is KGQOVDZGKWREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-10-5-12-7-14(16-9-15(17)18)8-13(12)6-11(10)4-2/h5-6,14,16H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid is sourced from PubChem (CID 118753264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).