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

C15H19NO4 — CID 79469532

IUPAC2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4/c17-14(16-6-7-20-10-15(18)19)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,16,17)(H,18,19)
InChIKeyXOOWOPOPGIFDIZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.94
Rot. Bonds7

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

2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid (PubChem CID 79469532) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
PubChem CID79469532
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO4/c17-14(16-6-7-20-10-15(18)19)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,16,17)(H,18,19)
InChIKeyXOOWOPOPGIFDIZ-UHFFFAOYSA-N
XLogP0.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700114
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
CID 79468877
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid
CID 60667849
N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 32965914
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112695615
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 55447489
ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
CID 60645837
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid (CID 79469532) is 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid?
The InChIKey is XOOWOPOPGIFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(16-6-7-20-10-15(18)19)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79469532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).