3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid

C19H24N2O4 — CID 124697832

IUPAC3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
SMILESCn1cc(CC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-20-12-14(16-6-2-3-7-17(16)20)11-18(22)21(9-8-19(23)24)13-15-5-4-10-25-15/h2-3,6-7,12,15H,4-5,8-11,13H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyWHYCRQVHSKZKML-HNNXBMFYSA-N
MW344.41 g/mol
LogP2.20
Rot. Bonds7

About 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid

3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid (PubChem CID 124697832) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
PubChem CID124697832
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
SMILESCn1cc(CC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-20-12-14(16-6-2-3-7-17(16)20)11-18(22)21(9-8-19(23)24)13-15-5-4-10-25-15/h2-3,6-7,12,15H,4-5,8-11,13H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyWHYCRQVHSKZKML-HNNXBMFYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid with MolForge

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Related Compounds

3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
3-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125151681
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[[1-(2-methylphenyl)pyrazole-4-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697276
3-[(1-ethylindole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209754
3-[(4-bromo-1-methylpyrrole-2-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 126783011
N-ethyl-N-(oxolan-2-ylmethyl)-2-pyrazolo[1,5-a]pyridin-3-ylacetamide
CID 166239856
3-[3-(2,3-difluorophenyl)propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124703574
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 164631306
3-[[1-(2-chlorophenyl)triazole-4-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153627
3-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153586
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid (CID 124697832) is 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid is Cn1cc(CC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c2ccccc21.
What is the InChIKey of 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid?
The InChIKey is WHYCRQVHSKZKML-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-20-12-14(16-6-2-3-7-17(16)20)11-18(22)21(9-8-19(23)24)13-15-5-4-10-25-15/h2-3,6-7,12,15H,4-5,8-11,13H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid?
3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 124697832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).