tert-butyl 4-(4-aminobutanoylamino)butanoate

C12H24N2O3 — CID 70677730

IUPACtert-butyl 4-(4-aminobutanoylamino)butanoate
SMILESCC(C)(C)OC(=O)CCCNC(=O)CCCN
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)7-5-9-14-10(15)6-4-8-13/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyLRCVLJOSUGDXBI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.96
Rot. Bonds7

About tert-butyl 4-(4-aminobutanoylamino)butanoate

tert-butyl 4-(4-aminobutanoylamino)butanoate (PubChem CID 70677730) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 4-(4-aminobutanoylamino)butanoate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminobutanoylamino)butanoate
PubChem CID70677730
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 4-(4-aminobutanoylamino)butanoate
SMILESCC(C)(C)OC(=O)CCCNC(=O)CCCN
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)7-5-9-14-10(15)6-4-8-13/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyLRCVLJOSUGDXBI-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-aminobutanoylamino)butanoate 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 4-(4-aminobutanoylamino)butanoate?
The IUPAC name of tert-butyl 4-(4-aminobutanoylamino)butanoate (CID 70677730) is tert-butyl 4-(4-aminobutanoylamino)butanoate.
What is the SMILES notation for tert-butyl 4-(4-aminobutanoylamino)butanoate?
The canonical SMILES for tert-butyl 4-(4-aminobutanoylamino)butanoate is CC(C)(C)OC(=O)CCCNC(=O)CCCN.
What is the InChIKey of tert-butyl 4-(4-aminobutanoylamino)butanoate?
The InChIKey is LRCVLJOSUGDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)7-5-9-14-10(15)6-4-8-13/h4-9,13H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 4-(4-aminobutanoylamino)butanoate?
tert-butyl 4-(4-aminobutanoylamino)butanoate has a molecular weight of 244.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminobutanoylamino)butanoate is sourced from PubChem (CID 70677730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).