ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate

C29H44N2O5 — CID 70069665

IUPACethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate
SMILESCCOC(=O)[C@H](CCN[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)C1Cc2ccccc2C1)C1CCCC1
InChIInChI=1S/C29H44N2O5/c1-6-35-28(34)25(21-11-7-8-12-21)15-16-30-20(2)27(33)31(19-26(32)36-29(3,4)5)24-17-22-13-9-10-14-23(22)18-24/h9-10,13-14,20-21,24-25,30H,6-8,11-12,15-19H2,1-5H3/t20-,25+/m0/s1
InChIKeyOPKSWGYQQVQRAF-NBGIEHNGSA-N
MW500.68 g/mol
LogP4.06
Rot. Bonds11

About ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate

ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate (PubChem CID 70069665) has the molecular formula C29H44N2O5 and a molecular weight of 500.68 g/mol. Its IUPAC name is ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate
PubChem CID70069665
Molecular FormulaC29H44N2O5
Molecular Weight500.68 g/mol
Exact Mass500.33
IUPAC Nameethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate
SMILESCCOC(=O)[C@H](CCN[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)C1Cc2ccccc2C1)C1CCCC1
InChIInChI=1S/C29H44N2O5/c1-6-35-28(34)25(21-11-7-8-12-21)15-16-30-20(2)27(33)31(19-26(32)36-29(3,4)5)24-17-22-13-9-10-14-23(22)18-24/h9-10,13-14,20-21,24-25,30H,6-8,11-12,15-19H2,1-5H3/t20-,25+/m0/s1
InChIKeyOPKSWGYQQVQRAF-NBGIEHNGSA-N
XLogP4.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2S)-2-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-(2-oxo-2-phenylmethoxyethyl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 67875418
tert-butyl 2-[[(2S)-2-[[1-(butylamino)-4-oxo-3-phenylbut-3-enyl]amino]propanoyl]-(2,3-dihydro-1H-inden-2-yl)amino]acetate
CID 88711500
benzyl 4-[(6S)-6-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-6-ethoxy-1-oxohex-1-en-2-yl]piperidine-1-carboxylate
CID 88682402
2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[(1-ethoxy-1-oxo-6-piperidin-4-ylhexan-2-yl)amino]propanoyl]amino]acetic acid
CID 57002525
tert-butyl (3S)-4-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate
CID 10347427
tert-butyl 2-[cyclopentyl-(2-methyl-3-sulfanylpropanoyl)amino]acetate
CID 13469597
tert-butyl (3S)-4-[cyclobutyl-(2-ethoxy-2-oxoethyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 70057289
ethyl 2-[[(2S)-1-(4-methyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-1-oxopropan-2-yl]amino]propanoate
CID 15614986
2-[[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid
CID 70552632
tert-butyl N-[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 73352798
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate?
The IUPAC name of ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate (CID 70069665) is ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate.
What is the SMILES notation for ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate?
The canonical SMILES for ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate is CCOC(=O)[C@H](CCN[C@@H](C)C(=O)N(CC(=O)OC(C)(C)C)C1Cc2ccccc2C1)C1CCCC1.
What is the InChIKey of ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate?
The InChIKey is OPKSWGYQQVQRAF-NBGIEHNGSA-N. The full InChI is InChI=1S/C29H44N2O5/c1-6-35-28(34)25(21-11-7-8-12-21)15-16-30-20(2)27(33)31(19-26(32)36-29(3,4)5)24-17-22-13-9-10-14-23(22)18-24/h9-10,13-14,20-21,24-25,30H,6-8,11-12,15-19H2,1-5H3/t20-,25+/m0/s1.
What are the key properties of ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate?
ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate has a molecular weight of 500.68 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-cyclopentyl-4-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]butanoate is sourced from PubChem (CID 70069665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).