2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid

C18H22N2O4 — CID 136515838

IUPAC2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCc1ccc2c(CC(=O)N(CC(=O)O)C3CCOCC3)c[nH]c2c1
InChIInChI=1S/C18H22N2O4/c1-12-2-3-15-13(10-19-16(15)8-12)9-17(21)20(11-18(22)23)14-4-6-24-7-5-14/h2-3,8,10,14,19H,4-7,9,11H2,1H3,(H,22,23)
InChIKeyUUJVSRWMMUKICE-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.11
Rot. Bonds5

About 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid

2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 136515838) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
PubChem CID136515838
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCc1ccc2c(CC(=O)N(CC(=O)O)C3CCOCC3)c[nH]c2c1
InChIInChI=1S/C18H22N2O4/c1-12-2-3-15-13(10-19-16(15)8-12)9-17(21)20(11-18(22)23)14-4-6-24-7-5-14/h2-3,8,10,14,19H,4-7,9,11H2,1H3,(H,22,23)
InChIKeyUUJVSRWMMUKICE-UHFFFAOYSA-N
XLogP2.11
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 60826703
2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 119194873
2-(1H-indol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 90554666
2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211258
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211212
azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
CID 160800096
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211323
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
2-[[(Z)-3-(2,4-dimethylphenyl)prop-2-enoyl]-(oxan-4-yl)amino]acetic acid
CID 132967853
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid (CID 136515838) is 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid is Cc1ccc2c(CC(=O)N(CC(=O)O)C3CCOCC3)c[nH]c2c1.
What is the InChIKey of 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is UUJVSRWMMUKICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-2-3-15-13(10-19-16(15)8-12)9-17(21)20(11-18(22)23)14-4-6-24-7-5-14/h2-3,8,10,14,19H,4-7,9,11H2,1H3,(H,22,23).
What are the key properties of 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid?
2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 330.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 136515838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).