methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C24H41N3O7 — CID 59972942

IUPACmethyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C24H41N3O7/c1-24(2,3)34-23(31)25-16-19(22(30)32-4)26-21(29)18(14-17-8-6-5-7-9-17)15-20(28)27-10-12-33-13-11-27/h17-19H,5-16H2,1-4H3,(H,25,31)(H,26,29)/t18?,19-/m0/s1
InChIKeyMBYTUGVRRDXWAX-GGYWPGCISA-N
MW483.61 g/mol
LogP2.00
Rot. Bonds9

About methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 59972942) has the molecular formula C24H41N3O7 and a molecular weight of 483.61 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID59972942
Molecular FormulaC24H41N3O7
Molecular Weight483.61 g/mol
Exact Mass483.29
IUPAC Namemethyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C24H41N3O7/c1-24(2,3)34-23(31)25-16-19(22(30)32-4)26-21(29)18(14-17-8-6-5-7-9-17)15-20(28)27-10-12-33-13-11-27/h17-19H,5-16H2,1-4H3,(H,25,31)(H,26,29)/t18?,19-/m0/s1
InChIKeyMBYTUGVRRDXWAX-GGYWPGCISA-N
XLogP2.00
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate 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

tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-1-[[(3S,4S)-3-hydroxy-6-methyl-1-(2-morpholin-4-ylethylamino)-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 56678377
ethyl N-[(4-ethylcyclohexyl)carbonyl]valylalaninate
CID 3236211
4-ethyl-N-(3-methyl-1-{[2-(morpholin-4-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3390135
methyl (2R)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]propanoate
CID 7663237
tert-butyl N-[2-methyl-1-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]carbamate
CID 72128863
2-cyclohexyl-N-[1-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 136534589
N-(2-Amino-1-carbamoyl-ethyl)-2-cyclohexylmethyl-4-morpholin-4-yl-4-oxo-butyramide TFA salt
CID 86583981
Ethyl 2-[[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 164674766
Boc-Gly-DL-Cha-Leu-OMe
CID 164674770
tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate
CID 71882014
tert-butyl N-[(1S)-1-cyclohexyl-2-morpholin-4-yl-2-oxoethyl]carbamate
CID 11141975
tert-butyl N-(3-cyclobutyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate
CID 16087191

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 59972942) is methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is MBYTUGVRRDXWAX-GGYWPGCISA-N. The full InChI is InChI=1S/C24H41N3O7/c1-24(2,3)34-23(31)25-16-19(22(30)32-4)26-21(29)18(14-17-8-6-5-7-9-17)15-20(28)27-10-12-33-13-11-27/h17-19H,5-16H2,1-4H3,(H,25,31)(H,26,29)/t18?,19-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 483.61 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 59972942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).