[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate

C20H27N3O4 — CID 7768793

IUPAC[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESCC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H27N3O4/c1-15(2)20(3,14-21)22-18(24)13-27-19(25)17-6-4-16(5-7-17)12-23-8-10-26-11-9-23/h4-7,15H,8-13H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyMMMBTEFCUOVRJN-FQEVSTJZSA-N
MW373.45 g/mol
LogP1.73
Rot. Bonds7

About [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 7768793) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
PubChem CID7768793
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESCC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H27N3O4/c1-15(2)20(3,14-21)22-18(24)13-27-19(25)17-6-4-16(5-7-17)12-23-8-10-26-11-9-23/h4-7,15H,8-13H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyMMMBTEFCUOVRJN-FQEVSTJZSA-N
XLogP1.73
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate with MolForge

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Related Compounds

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2650971
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2651054
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752902
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 2650922
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 18777581
[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769445
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875986
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579100
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate (CID 7768793) is [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate is CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is MMMBTEFCUOVRJN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15(2)20(3,14-21)22-18(24)13-27-19(25)17-6-4-16(5-7-17)12-23-8-10-26-11-9-23/h4-7,15H,8-13H2,1-3H3,(H,22,24)/t20-/m0/s1.
What are the key properties of [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 373.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 7768793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).