3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

C19H24N2O4 — CID 119209754

IUPAC3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCn1c(C(=O)N(CCC(=O)O)CC2CCCO2)cc2ccccc21
InChIInChI=1S/C19H24N2O4/c1-2-21-16-8-4-3-6-14(16)12-17(21)19(24)20(10-9-18(22)23)13-15-7-5-11-25-15/h3-4,6,8,12,15H,2,5,7,9-11,13H2,1H3,(H,22,23)
InChIKeyZOGSCVGPFMBUPN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.76
Rot. Bonds7

About 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 119209754) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID119209754
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCn1c(C(=O)N(CCC(=O)O)CC2CCCO2)cc2ccccc21
InChIInChI=1S/C19H24N2O4/c1-2-21-16-8-4-3-6-14(16)12-17(21)19(24)20(10-9-18(22)23)13-15-7-5-11-25-15/h3-4,6,8,12,15H,2,5,7,9-11,13H2,1H3,(H,22,23)
InChIKeyZOGSCVGPFMBUPN-UHFFFAOYSA-N
XLogP2.76
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(4-bromo-1-methylpyrrole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 126783011
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697832
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide
CID 95143710
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
3-[[1-(2-methylphenyl)pyrazole-4-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697276
3-[(4-ethoxy-1-phenylpyrazole-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125152276
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (CID 119209754) is 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is CCn1c(C(=O)N(CCC(=O)O)CC2CCCO2)cc2ccccc21.
What is the InChIKey of 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is ZOGSCVGPFMBUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-21-16-8-4-3-6-14(16)12-17(21)19(24)20(10-9-18(22)23)13-15-7-5-11-25-15/h3-4,6,8,12,15H,2,5,7,9-11,13H2,1H3,(H,22,23).
What are the key properties of 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 119209754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).