benzyl 4-amino-5-oxooctanoate

C15H21NO3 — CID 123170480

IUPACbenzyl 4-amino-5-oxooctanoate
SMILESCCCC(=O)C(N)CCC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-6-14(17)13(16)9-10-15(18)19-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3
InChIKeyJGJDYFDASVNKNQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds8

About benzyl 4-amino-5-oxooctanoate

benzyl 4-amino-5-oxooctanoate (PubChem CID 123170480) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl 4-amino-5-oxooctanoate.

Molecular Properties

Compound Namebenzyl 4-amino-5-oxooctanoate
PubChem CID123170480
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl 4-amino-5-oxooctanoate
SMILESCCCC(=O)C(N)CCC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-6-14(17)13(16)9-10-15(18)19-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3
InChIKeyJGJDYFDASVNKNQ-UHFFFAOYSA-N
XLogP2.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-amino-5-oxooctanoate 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

5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
benzyl (4S)-4-amino-6-methyl-5-oxoheptanoate
CID 126547548
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
CID 15692489
benzyl butanoate;propanoic acid
CID 175271849
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
benzyl 4-amino-5-[(3-hydroxy-1-oxo-1-phenylmethoxybutan-2-yl)amino]-5-oxopentanoate
CID 174940373
dibenzyl 2-[(2-amino-5-oxoheptanoyl)amino]pentanedioate
CID 166879211
benzyl 4-oxoheptanoate
CID 172815327
6-O-benzyl 1-O-ethyl 2-amino-3-oxohexanedioate
CID 67715090
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 131739350

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-5-oxooctanoate?
The IUPAC name of benzyl 4-amino-5-oxooctanoate (CID 123170480) is benzyl 4-amino-5-oxooctanoate.
What is the SMILES notation for benzyl 4-amino-5-oxooctanoate?
The canonical SMILES for benzyl 4-amino-5-oxooctanoate is CCCC(=O)C(N)CCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-amino-5-oxooctanoate?
The InChIKey is JGJDYFDASVNKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-6-14(17)13(16)9-10-15(18)19-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3.
What are the key properties of benzyl 4-amino-5-oxooctanoate?
benzyl 4-amino-5-oxooctanoate has a molecular weight of 263.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-5-oxooctanoate is sourced from PubChem (CID 123170480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).