tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C20H34N6O7 — CID 15755332

IUPACtert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
InChIInChI=1S/C20H34N6O7/c1-20(2,3)33-19(32)26-10-4-5-13(26)18(31)25-12(7-9-15(22)28)17(30)24-11(16(23)29)6-8-14(21)27/h11-13H,4-10H2,1-3H3,(H2,21,27)(H2,22,28)(H2,23,29)(H,24,30)(H,25,31)/t11-,12-,13+/m0/s1
InChIKeyMXUDVSNLJFSMHE-RWMBFGLXSA-N
MW470.53 g/mol
LogP-1.63
Rot. Bonds11

About tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 15755332) has the molecular formula C20H34N6O7 and a molecular weight of 470.53 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID15755332
Molecular FormulaC20H34N6O7
Molecular Weight470.53 g/mol
Exact Mass470.25
IUPAC Nametert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
InChIInChI=1S/C20H34N6O7/c1-20(2,3)33-19(32)26-10-4-5-13(26)18(31)25-12(7-9-15(22)28)17(30)24-11(16(23)29)6-8-14(21)27/h11-13H,4-10H2,1-3H3,(H2,21,27)(H2,22,28)(H2,23,29)(H,24,30)(H,25,31)/t11-,12-,13+/m0/s1
InChIKeyMXUDVSNLJFSMHE-RWMBFGLXSA-N
XLogP-1.63
TPSA217.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 15755332) is tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O.
What is the InChIKey of tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is MXUDVSNLJFSMHE-RWMBFGLXSA-N. The full InChI is InChI=1S/C20H34N6O7/c1-20(2,3)33-19(32)26-10-4-5-13(26)18(31)25-12(7-9-15(22)28)17(30)24-11(16(23)29)6-8-14(21)27/h11-13H,4-10H2,1-3H3,(H2,21,27)(H2,22,28)(H2,23,29)(H,24,30)(H,25,31)/t11-,12-,13+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 470.53 g/mol, XLogP of -1.63, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15755332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).