benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate

C25H26N2O3 — CID 15692489

IUPACbenzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
SMILESNC(CCC(=O)OCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c26-22(16-17-23(28)30-18-19-10-4-1-5-11-19)25(29)27-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18,26H2,(H,27,29)
InChIKeyARDHUMNUZRVCEQ-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.74
Rot. Bonds9

About benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate

benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate (PubChem CID 15692489) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate.

Molecular Properties

Compound Namebenzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
PubChem CID15692489
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Namebenzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
SMILESNC(CCC(=O)OCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c26-22(16-17-23(28)30-18-19-10-4-1-5-11-19)25(29)27-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18,26H2,(H,27,29)
InChIKeyARDHUMNUZRVCEQ-UHFFFAOYSA-N
XLogP3.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 4-amino-5-(benzhydrylamino)-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

Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 131739350
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
benzyl 4-amino-5-[(3-hydroxy-1-oxo-1-phenylmethoxybutan-2-yl)amino]-5-oxopentanoate
CID 174940373
benzyl 4-amino-5-oxooctanoate
CID 123170480
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
benzyl (4S)-4-amino-6-methyl-5-oxoheptanoate
CID 126547548
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
dibenzyl 2-[(2-amino-5-oxoheptanoyl)amino]pentanedioate
CID 166879211
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
benzyl (4R)-5-amino-4-(2-aminobutanoylamino)-5-oxopentanoate
CID 22814955
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate?
The IUPAC name of benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate (CID 15692489) is benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate.
What is the SMILES notation for benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate?
The canonical SMILES for benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate is NC(CCC(=O)OCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate?
The InChIKey is ARDHUMNUZRVCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c26-22(16-17-23(28)30-18-19-10-4-1-5-11-19)25(29)27-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18,26H2,(H,27,29).
What are the key properties of benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate?
benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate has a molecular weight of 402.49 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate is sourced from PubChem (CID 15692489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).