benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate

C32H31N3O5 — CID 126007491

IUPACbenzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
SMILESO=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31N3O5/c36-30(34-35(27-17-9-3-10-18-27)28-19-11-4-12-20-28)22-21-29(31(37)39-23-25-13-5-1-6-14-25)33-32(38)40-24-26-15-7-2-8-16-26/h1-20,29H,21-24H2,(H,33,38)(H,34,36)/t29-/m0/s1
InChIKeyZOXWVVNRZJYUMM-LJAQVGFWSA-N
MW537.62 g/mol
LogP5.67
Rot. Bonds12

About benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate

benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 126007491) has the molecular formula C32H31N3O5 and a molecular weight of 537.62 g/mol. Its IUPAC name is benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namebenzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID126007491
Molecular FormulaC32H31N3O5
Molecular Weight537.62 g/mol
Exact Mass537.23
IUPAC Namebenzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
SMILESO=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31N3O5/c36-30(34-35(27-17-9-3-10-18-27)28-19-11-4-12-20-28)22-21-29(31(37)39-23-25-13-5-1-6-14-25)33-32(38)40-24-26-15-7-2-8-16-26/h1-20,29H,21-24H2,(H,33,38)(H,34,36)/t29-/m0/s1
InChIKeyZOXWVVNRZJYUMM-LJAQVGFWSA-N
XLogP5.67
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate 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 (2S)-5-[[(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 11071675
benzyl (2S)-5-(cyclopropylamino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 155726369
benzyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
CID 126005193
benzyl N-(N-phenylanilino)carbamate
CID 71360694
benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
CID 7408212
benzyl 4-[[(4S)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate
CID 139643103
benzyl N-[(3S)-6-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6-dioxohexan-3-yl]carbamate
CID 130398412
dibenzyl 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanedioate
CID 3104557
ethyl (2S)-5-[[(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 59821487
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl 5-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 144963457
benzyl (2S)-5-[(4-methylphenyl)sulfonylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 10506252

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate (CID 126007491) is benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate is O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is ZOXWVVNRZJYUMM-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H31N3O5/c36-30(34-35(27-17-9-3-10-18-27)28-19-11-4-12-20-28)22-21-29(31(37)39-23-25-13-5-1-6-14-25)33-32(38)40-24-26-15-7-2-8-16-26/h1-20,29H,21-24H2,(H,33,38)(H,34,36)/t29-/m0/s1.
What are the key properties of benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate?
benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 537.62 g/mol, XLogP of 5.67, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 126007491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).