methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate

C19H22N2O4 — CID 95274797

About methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate

methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate (PubChem CID 95274797) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
• PubChem CID: 95274797
• Molecular Formula: C19H22N2O4
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.16
• IUPAC Name: methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
• SMILES: COC(=O)CCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C
• InChI: InChI=1S/C19H22N2O4/c1-13-11-14-5-3-4-6-16(14)21(13)12-17-15(8-10-25-17)19(23)20-9-7-18(22)24-2/h3-6,8,10,13H,7,9,11-12H2,1-2H3,(H,20,23)/t13-/m0/s1
• InChIKey: ULAQVEOGIZIJDM-ZDUSSCGKSA-N
• XLogP: 2.52
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate?

The IUPAC name of methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate (CID 95274797) is methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate.

What is the SMILES notation for methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate?

The canonical SMILES for methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C.

What is the InChIKey of methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate?

The InChIKey is ULAQVEOGIZIJDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-11-14-5-3-4-6-16(14)21(13)12-17-15(8-10-25-17)19(23)20-9-7-18(22)24-2/h3-6,8,10,13H,7,9,11-12H2,1-2H3,(H,20,23)/t13-/m0/s1.

What are the key properties of methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate?

methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate has a molecular weight of 342.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate is sourced from PubChem (CID 95274797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).