tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C19H33N3O6 — CID 7076443

IUPACtert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33N3O6/c1-12(2)10-13(16(24)20-11-15(23)27-6)21-17(25)14-8-7-9-22(14)18(26)28-19(3,4)5/h12-14H,7-11H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-/m1/s1
InChIKeySNRPFMOFRSDHHF-ZIAGYGMSSA-N
MW399.49 g/mol
LogP1.21
Rot. Bonds7

About tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 7076443) has the molecular formula C19H33N3O6 and a molecular weight of 399.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID7076443
Molecular FormulaC19H33N3O6
Molecular Weight399.49 g/mol
Exact Mass399.24
IUPAC Nametert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33N3O6/c1-12(2)10-13(16(24)20-11-15(23)27-6)21-17(25)14-8-7-9-22(14)18(26)28-19(3,4)5/h12-14H,7-11H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-/m1/s1
InChIKeySNRPFMOFRSDHHF-ZIAGYGMSSA-N
XLogP1.21
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 7076443) is tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is SNRPFMOFRSDHHF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H33N3O6/c1-12(2)10-13(16(24)20-11-15(23)27-6)21-17(25)14-8-7-9-22(14)18(26)28-19(3,4)5/h12-14H,7-11H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 7076443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).