ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate

C19H26N2O4 — CID 95768836

IUPACethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)[C@]1(NC(=O)CNC(=O)[C@H](C)CC)CCc2ccccc21
InChIInChI=1S/C19H26N2O4/c1-4-13(3)17(23)20-12-16(22)21-19(18(24)25-5-2)11-10-14-8-6-7-9-15(14)19/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)(H,21,22)/t13-,19+/m1/s1
InChIKeyMAPHDCKBJYKODN-YJYMSZOUSA-N
MW346.43 g/mol
LogP1.67
Rot. Bonds7

About ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate

ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate (PubChem CID 95768836) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate
PubChem CID95768836
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)[C@]1(NC(=O)CNC(=O)[C@H](C)CC)CCc2ccccc21
InChIInChI=1S/C19H26N2O4/c1-4-13(3)17(23)20-12-16(22)21-19(18(24)25-5-2)11-10-14-8-6-7-9-15(14)19/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)(H,21,22)/t13-,19+/m1/s1
InChIKeyMAPHDCKBJYKODN-YJYMSZOUSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate with MolForge

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Related Compounds

ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 60997641
ethyl 1-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylate
CID 166408395
ethyl 5-(2-methylpropylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylate
CID 61002653
ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate
CID 95905316
ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate
CID 95352366
ethyl (1S)-1-[2-(1,2,4-triazol-1-yl)ethylamino]-2,3-dihydroindene-1-carboxylate
CID 97216775
ethyl (1S)-1-[(3-nitro-2-pyridinyl)amino]-2,3-dihydroindene-1-carboxylate
CID 69159814
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate
CID 83066332
ethyl 2-(1-hydroxy-2,3-dihydroinden-1-yl)pentanoate
CID 83043699
methyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 54892661

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate?
The IUPAC name of ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate (CID 95768836) is ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate is CCOC(=O)[C@]1(NC(=O)CNC(=O)[C@H](C)CC)CCc2ccccc21.
What is the InChIKey of ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate?
The InChIKey is MAPHDCKBJYKODN-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-13(3)17(23)20-12-16(22)21-19(18(24)25-5-2)11-10-14-8-6-7-9-15(14)19/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)(H,21,22)/t13-,19+/m1/s1.
What are the key properties of ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate?
ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 95768836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).