methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate

C24H34N2O6 — CID 70054482

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate
SMILESC=CCC(C(=O)OC)N(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C24H34N2O6/c1-6-10-19(22(28)30-5)26(23(29)32-24(2,3)4)20(17-18-11-8-7-9-12-18)21(27)25-13-15-31-16-14-25/h6-9,11-12,19-20H,1,10,13-17H2,2-5H3
InChIKeyQKWOSMBTRAUPJM-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.81
Rot. Bonds8

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate (PubChem CID 70054482) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate
PubChem CID70054482
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate
SMILESC=CCC(C(=O)OC)N(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C24H34N2O6/c1-6-10-19(22(28)30-5)26(23(29)32-24(2,3)4)20(17-18-11-8-7-9-12-18)21(27)25-13-15-31-16-14-25/h6-9,11-12,19-20H,1,10,13-17H2,2-5H3
InChIKeyQKWOSMBTRAUPJM-UHFFFAOYSA-N
XLogP2.81
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
CID 95302963
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
trifluoro-[[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]boranuide
CID 154709711
tert-butyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 11026789
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
4-bromo-N-[(4-tert-butylphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)benzamide
CID 4001654
[(2R)-3-(4-morpholin-4-ylphenyl)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-3-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 130196380
tert-butyl (3S)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-morpholin-4-yl-4-oxobutanoate
CID 162703977
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
tert-butyl N-[(2R)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 54358970
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate (CID 70054482) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate is C=CCC(C(=O)OC)N(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate?
The InChIKey is QKWOSMBTRAUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-6-10-19(22(28)30-5)26(23(29)32-24(2,3)4)20(17-18-11-8-7-9-12-18)21(27)25-13-15-31-16-14-25/h6-9,11-12,19-20H,1,10,13-17H2,2-5H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate has a molecular weight of 446.54 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)amino]pent-4-enoate is sourced from PubChem (CID 70054482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).