2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid

C19H24N2O4 — CID 119235612

IUPAC2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
SMILESCC1CCCCC1OCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C19H24N2O4/c1-13-4-2-3-5-17(13)25-12-18(22)20-15-6-7-16-14(10-15)8-9-21(16)11-19(23)24/h6-10,13,17H,2-5,11-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyMCRNMABMWMPUMW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.26
Rot. Bonds6

About 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid

2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid (PubChem CID 119235612) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
PubChem CID119235612
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
SMILESCC1CCCCC1OCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C19H24N2O4/c1-13-4-2-3-5-17(13)25-12-18(22)20-15-6-7-16-14(10-15)8-9-21(16)11-19(23)24/h6-10,13,17H,2-5,11-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyMCRNMABMWMPUMW-UHFFFAOYSA-N
XLogP3.26
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
CID 120687451
2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532684
2-methoxy-N-[3-[[2-[(1S,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532683
2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235539
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 96532780
N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 99718479
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
CID 119235402

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid (CID 119235612) is 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid is CC1CCCCC1OCC(=O)Nc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid?
The InChIKey is MCRNMABMWMPUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-4-2-3-5-17(13)25-12-18(22)20-15-6-7-16-14(10-15)8-9-21(16)11-19(23)24/h6-10,13,17H,2-5,11-12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid?
2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid has a molecular weight of 344.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).