benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate

C16H24N2O3 — CID 135298964

IUPACbenzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate
SMILESCC(C)(C)NC(=O)C[C@@H](N)CC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)18-14(19)9-13(17)10-15(20)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyLHVPFEWDYFQUSV-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds6

About benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate

benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate (PubChem CID 135298964) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate.

Molecular Properties

Compound Namebenzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate
PubChem CID135298964
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebenzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate
SMILESCC(C)(C)NC(=O)C[C@@H](N)CC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)18-14(19)9-13(17)10-15(20)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyLHVPFEWDYFQUSV-CYBMUJFWSA-N
XLogP1.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate 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 benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate?
The IUPAC name of benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate (CID 135298964) is benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate.
What is the SMILES notation for benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate?
The canonical SMILES for benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate is CC(C)(C)NC(=O)C[C@@H](N)CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate?
The InChIKey is LHVPFEWDYFQUSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)18-14(19)9-13(17)10-15(20)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,19)/t13-/m1/s1.
What are the key properties of benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate?
benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate has a molecular weight of 292.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate is sourced from PubChem (CID 135298964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).