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

C19H22N2O4 — CID 95274797

IUPACmethyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C
InChIInChI=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
InChIKeyULAQVEOGIZIJDM-ZDUSSCGKSA-N
MW342.40 g/mol
LogP2.52
Rot. Bonds6

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 Namemethyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
PubChem CID95274797
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C
InChIInChI=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
InChIKeyULAQVEOGIZIJDM-ZDUSSCGKSA-N
XLogP2.52
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).