tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

C21H38N4O5 — CID 653132

IUPACtert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C21H38N4O5/c1-12(2)11-14(19(28)25-10-8-9-15(25)17(22)26)23-18(27)16(13(3)4)24-20(29)30-21(5,6)7/h12-16H,8-11H2,1-7H3,(H2,22,26)(H,23,27)(H,24,29)
InChIKeyNQZYVZPEQQKCLY-UHFFFAOYSA-N
MW426.56 g/mol
LogP1.54
Rot. Bonds8

About tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 653132) has the molecular formula C21H38N4O5 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID653132
Molecular FormulaC21H38N4O5
Molecular Weight426.56 g/mol
Exact Mass426.28
IUPAC Nametert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C21H38N4O5/c1-12(2)11-14(19(28)25-10-8-9-15(25)17(22)26)23-18(27)16(13(3)4)24-20(29)30-21(5,6)7/h12-16H,8-11H2,1-7H3,(H2,22,26)(H,23,27)(H,24,29)
InChIKeyNQZYVZPEQQKCLY-UHFFFAOYSA-N
XLogP1.54
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate 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 tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 653132) is tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is NQZYVZPEQQKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O5/c1-12(2)11-14(19(28)25-10-8-9-15(25)17(22)26)23-18(27)16(13(3)4)24-20(29)30-21(5,6)7/h12-16H,8-11H2,1-7H3,(H2,22,26)(H,23,27)(H,24,29).
What are the key properties of tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-(2-carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 653132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).