tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C24H42N4O5 — CID 155558512

IUPACtert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N(C)C1CC1
InChIInChI=1S/C24H42N4O5/c1-14(2)18(21(30)27(8)16-11-12-16)25-20(29)17-10-9-13-28(17)22(31)19(15(3)4)26-23(32)33-24(5,6)7/h14-19H,9-13H2,1-8H3,(H,25,29)(H,26,32)/t17-,18?,19-/m0/s1
InChIKeyPEOOACHHXRUEKB-JVUMBYKBSA-N
MW466.62 g/mol
LogP2.29
Rot. Bonds8

About tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 155558512) has the molecular formula C24H42N4O5 and a molecular weight of 466.62 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID155558512
Molecular FormulaC24H42N4O5
Molecular Weight466.62 g/mol
Exact Mass466.32
IUPAC Nametert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N(C)C1CC1
InChIInChI=1S/C24H42N4O5/c1-14(2)18(21(30)27(8)16-11-12-16)25-20(29)17-10-9-13-28(17)22(31)19(15(3)4)26-23(32)33-24(5,6)7/h14-19H,9-13H2,1-8H3,(H,25,29)(H,26,32)/t17-,18?,19-/m0/s1
InChIKeyPEOOACHHXRUEKB-JVUMBYKBSA-N
XLogP2.29
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-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-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 155558512) is tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N(C)C1CC1.
What is the InChIKey of tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is PEOOACHHXRUEKB-JVUMBYKBSA-N. The full InChI is InChI=1S/C24H42N4O5/c1-14(2)18(21(30)27(8)16-11-12-16)25-20(29)17-10-9-13-28(17)22(31)19(15(3)4)26-23(32)33-24(5,6)7/h14-19H,9-13H2,1-8H3,(H,25,29)(H,26,32)/t17-,18?,19-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 466.62 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(2S)-2-[[1-[cyclopropyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 155558512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).