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

C15H19NO5 — CID 79468877

IUPAC2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO5/c17-14(16-6-7-20-10-15(18)19)9-21-13-5-4-11-2-1-3-12(11)8-13/h4-5,8H,1-3,6-7,9-10H2,(H,16,17)(H,18,19)
InChIKeyOLSHWWSYBKSWOC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.77
Rot. Bonds8

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

2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid (PubChem CID 79468877) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
PubChem CID79468877
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO5/c17-14(16-6-7-20-10-15(18)19)9-21-13-5-4-11-2-1-3-12(11)8-13/h4-5,8H,1-3,6-7,9-10H2,(H,16,17)(H,18,19)
InChIKeyOLSHWWSYBKSWOC-UHFFFAOYSA-N
XLogP0.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
CID 79469532
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-N-propylacetamide
CID 9163185
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 9390786

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid (CID 79468877) is 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid?
The InChIKey is OLSHWWSYBKSWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(16-6-7-20-10-15(18)19)9-21-13-5-4-11-2-1-3-12(11)8-13/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-yloxy)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79468877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).