methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate

C22H32N4O6 — CID 123771201

IUPACmethyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate
SMILESCOC(=O)C(CC1CCNC1O)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C22H32N4O6/c1-31-21(29)18(14-16-7-8-23-19(16)27)24-20(28)17(13-15-5-3-2-4-6-15)25-22(30)26-9-11-32-12-10-26/h2-6,16-19,23,27H,7-14H2,1H3,(H,24,28)(H,25,30)
InChIKeyDMGWLOBCTYFZIV-UHFFFAOYSA-N
MW448.52 g/mol
LogP-0.38
Rot. Bonds8

About methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate

methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate (PubChem CID 123771201) has the molecular formula C22H32N4O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate
PubChem CID123771201
Molecular FormulaC22H32N4O6
Molecular Weight448.52 g/mol
Exact Mass448.23
IUPAC Namemethyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate
SMILESCOC(=O)C(CC1CCNC1O)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C22H32N4O6/c1-31-21(29)18(14-16-7-8-23-19(16)27)24-20(28)17(13-15-5-3-2-4-6-15)25-22(30)26-9-11-32-12-10-26/h2-6,16-19,23,27H,7-14H2,1H3,(H,24,28)(H,25,30)
InChIKeyDMGWLOBCTYFZIV-UHFFFAOYSA-N
XLogP-0.38
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
(E)-2-[(2S)-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]-4-phenylbutanoyl]oxyethenesulfonic acid
CID 10007591
N-[(2S)-1-[[(2S)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54508039
methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 3268160
methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate
CID 74662394
N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70077523
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
CID 18631423
N-[(2S)-1-[[2-amino-1-(benzenesulfonyl)-4-phenylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70291185
(2S)-N-[(2S)-4-(cyclopropylamino)-1-[(3S)-2-hydroxypyrrolidin-3-yl]-3,4-dioxobutan-2-yl]-2-[[(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl]amino]pentanamide
CID 167255090
N-[(2S)-1-[[(E)-1-amino-1-oxo-6-phenylhex-2-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70082156
N-[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 11810830

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate?
The IUPAC name of methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate (CID 123771201) is methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate?
The canonical SMILES for methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate is COC(=O)C(CC1CCNC1O)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate?
The InChIKey is DMGWLOBCTYFZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O6/c1-31-21(29)18(14-16-7-8-23-19(16)27)24-20(28)17(13-15-5-3-2-4-6-15)25-22(30)26-9-11-32-12-10-26/h2-6,16-19,23,27H,7-14H2,1H3,(H,24,28)(H,25,30).
What are the key properties of methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate?
methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate has a molecular weight of 448.52 g/mol, XLogP of -0.38, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate is sourced from PubChem (CID 123771201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).