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

C18H32N4O5 — CID 656029

IUPACtert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O
InChIInChI=1S/C18H32N4O5/c1-11(2)9-12(15(24)20-10-14(19)23)21-16(25)13-7-6-8-22(13)17(26)27-18(3,4)5/h11-13H,6-10H2,1-5H3,(H2,19,23)(H,20,24)(H,21,25)
InChIKeyMZKJRCQSMFAOCW-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.52
Rot. Bonds7

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

tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 656029) has the molecular formula C18H32N4O5 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID656029
Molecular FormulaC18H32N4O5
Molecular Weight384.48 g/mol
Exact Mass384.24
IUPAC Nametert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O
InChIInChI=1S/C18H32N4O5/c1-11(2)9-12(15(24)20-10-14(19)23)21-16(25)13-7-6-8-22(13)17(26)27-18(3,4)5/h11-13H,6-10H2,1-5H3,(H2,19,23)(H,20,24)(H,21,25)
InChIKeyMZKJRCQSMFAOCW-UHFFFAOYSA-N
XLogP0.52
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 656029) is tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is CC(C)CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O.
What is the InChIKey of tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is MZKJRCQSMFAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O5/c1-11(2)9-12(15(24)20-10-14(19)23)21-16(25)13-7-6-8-22(13)17(26)27-18(3,4)5/h11-13H,6-10H2,1-5H3,(H2,19,23)(H,20,24)(H,21,25).
What are the key properties of tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 656029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).