methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate

C26H41N3O5 — CID 68770747

IUPACmethyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CC(NC(C)(C)C)CCC1N1CC[C@H](NC(=O)c2cc(C(C)(C)C)oc2C)C1=O
InChIInChI=1S/C26H41N3O5/c1-15-17(14-21(34-15)25(2,3)4)22(30)27-19-11-12-29(23(19)31)20-10-9-16(28-26(5,6)7)13-18(20)24(32)33-8/h14,16,18-20,28H,9-13H2,1-8H3,(H,27,30)/t16?,18?,19-,20?/m0/s1
InChIKeyMJZCPWBWLLTWJU-JATUMROWSA-N
MW475.63 g/mol
LogP3.31
Rot. Bonds5

About methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate

methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate (PubChem CID 68770747) has the molecular formula C26H41N3O5 and a molecular weight of 475.63 g/mol. Its IUPAC name is methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
PubChem CID68770747
Molecular FormulaC26H41N3O5
Molecular Weight475.63 g/mol
Exact Mass475.30
IUPAC Namemethyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CC(NC(C)(C)C)CCC1N1CC[C@H](NC(=O)c2cc(C(C)(C)C)oc2C)C1=O
InChIInChI=1S/C26H41N3O5/c1-15-17(14-21(34-15)25(2,3)4)22(30)27-19-11-12-29(23(19)31)20-10-9-16(28-26(5,6)7)13-18(20)24(32)33-8/h14,16,18-20,28H,9-13H2,1-8H3,(H,27,30)/t16?,18?,19-,20?/m0/s1
InChIKeyMJZCPWBWLLTWJU-JATUMROWSA-N
XLogP3.31
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate (CID 68770747) is methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate is COC(=O)C1CC(NC(C)(C)C)CCC1N1CC[C@H](NC(=O)c2cc(C(C)(C)C)oc2C)C1=O.
What is the InChIKey of methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate?
The InChIKey is MJZCPWBWLLTWJU-JATUMROWSA-N. The full InChI is InChI=1S/C26H41N3O5/c1-15-17(14-21(34-15)25(2,3)4)22(30)27-19-11-12-29(23(19)31)20-10-9-16(28-26(5,6)7)13-18(20)24(32)33-8/h14,16,18-20,28H,9-13H2,1-8H3,(H,27,30)/t16?,18?,19-,20?/m0/s1.
What are the key properties of methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate?
methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate has a molecular weight of 475.63 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(tert-butylamino)-2-[(3S)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 68770747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).