tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate

C13H25N3O4 — CID 54561688

IUPACtert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate
SMILESCCCCN(CC(N)=O)CC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O4/c1-5-6-7-16(8-10(14)17)9-11(18)15-12(19)20-13(2,3)4/h5-9H2,1-4H3,(H2,14,17)(H,15,18,19)
InChIKeyZQZLYMFDXDUVIV-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.63
Rot. Bonds7

About tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate

tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate (PubChem CID 54561688) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate
PubChem CID54561688
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Nametert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate
SMILESCCCCN(CC(N)=O)CC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O4/c1-5-6-7-16(8-10(14)17)9-11(18)15-12(19)20-13(2,3)4/h5-9H2,1-4H3,(H2,14,17)(H,15,18,19)
InChIKeyZQZLYMFDXDUVIV-UHFFFAOYSA-N
XLogP0.63
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]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-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate (CID 54561688) is tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate is CCCCN(CC(N)=O)CC(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate?
The InChIKey is ZQZLYMFDXDUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-5-6-7-16(8-10(14)17)9-11(18)15-12(19)20-13(2,3)4/h5-9H2,1-4H3,(H2,14,17)(H,15,18,19).
What are the key properties of tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate?
tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate is sourced from PubChem (CID 54561688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).