2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid

C17H20N2O4 — CID 120687451

IUPAC2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)CC3CCCCO3)ccc21
InChIInChI=1S/C17H20N2O4/c20-16(10-14-3-1-2-8-23-14)18-13-4-5-15-12(9-13)6-7-19(15)11-17(21)22/h4-7,9,14H,1-3,8,10-11H2,(H,18,20)(H,21,22)
InChIKeyWDGIZZZLJRINRO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.62
Rot. Bonds5

About 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid

2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid (PubChem CID 120687451) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
PubChem CID120687451
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)CC3CCCCO3)ccc21
InChIInChI=1S/C17H20N2O4/c20-16(10-14-3-1-2-8-23-14)18-13-4-5-15-12(9-13)6-7-19(15)11-17(21)22/h4-7,9,14H,1-3,8,10-11H2,(H,18,20)(H,21,22)
InChIKeyWDGIZZZLJRINRO-UHFFFAOYSA-N
XLogP2.62
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
2-[5-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235539
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid
CID 129402351
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
2-[5-[[2-(cyclohexen-1-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235511
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid
CID 119235436

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid (CID 120687451) is 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid is O=C(O)Cn1ccc2cc(NC(=O)CC3CCCCO3)ccc21.
What is the InChIKey of 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid?
The InChIKey is WDGIZZZLJRINRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-16(10-14-3-1-2-8-23-14)18-13-4-5-15-12(9-13)6-7-19(15)11-17(21)22/h4-7,9,14H,1-3,8,10-11H2,(H,18,20)(H,21,22).
What are the key properties of 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid?
2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid is sourced from PubChem (CID 120687451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).