benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate

C18H19NO3 — CID 2250347

IUPACbenzyl (3S)-5-amino-5-oxo-3-phenylpentanoate
SMILESNC(=O)C[C@@H](CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c19-17(20)11-16(15-9-5-2-6-10-15)12-18(21)22-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,19,20)/t16-/m0/s1
InChIKeyCMDYCWKIQKQLQA-INIZCTEOSA-N
MW297.35 g/mol
LogP2.78
Rot. Bonds7

About benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate

benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate (PubChem CID 2250347) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate.

Molecular Properties

Compound Namebenzyl (3S)-5-amino-5-oxo-3-phenylpentanoate
PubChem CID2250347
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl (3S)-5-amino-5-oxo-3-phenylpentanoate
SMILESNC(=O)C[C@@H](CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c19-17(20)11-16(15-9-5-2-6-10-15)12-18(21)22-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,19,20)/t16-/m0/s1
InChIKeyCMDYCWKIQKQLQA-INIZCTEOSA-N
XLogP2.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
benzyl (2R)-4-amino-2-hydroxy-4-oxobutanoate
CID 11770072
dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl 3-hydroxybutanoate
CID 562226
(3-oxo-1-phenyl-3-phenylmethoxypropyl)boronic acid
CID 53255334
benzyl 4-amino-3,4-diphenylbutanoate
CID 15355049
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl (3S)-4-bromo-3-hydroxybutanoate
CID 141383144
benzyl (3S)-3-hydroxy-4-iodobutanoate
CID 141383143
[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride
CID 11257534

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
The IUPAC name of benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate (CID 2250347) is benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate.
What is the SMILES notation for benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
The canonical SMILES for benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate is NC(=O)C[C@@H](CC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
The InChIKey is CMDYCWKIQKQLQA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO3/c19-17(20)11-16(15-9-5-2-6-10-15)12-18(21)22-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,19,20)/t16-/m0/s1.
What are the key properties of benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate has a molecular weight of 297.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate is sourced from PubChem (CID 2250347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).