(3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium

C18H18N3O3+ — CID 21158904

IUPAC(3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium
SMILESN#[N+]CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1
InChIKeyVLIGBVLLNSWVMI-MRXNPFEDSA-O
MW324.36 g/mol
LogP2.95
Rot. Bonds7

About (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium

(3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium (PubChem CID 21158904) has the molecular formula C18H18N3O3+ and a molecular weight of 324.36 g/mol. Its IUPAC name is (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium.

Molecular Properties

Compound Name(3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium
PubChem CID21158904
Molecular FormulaC18H18N3O3+
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium
SMILESN#[N+]CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1
InChIKeyVLIGBVLLNSWVMI-MRXNPFEDSA-O
XLogP2.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

Mdl-28170
CID 72430
(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
CID 99625
Mdl 201053
CID 122019
Carbobenzoxycarbonyl-phenylalanyl-alaninyldiazomethane
CID 155664
Benzyloxycarbonyl-L-phenylalanine
CID 70878
IN2-(benzyloxycarbonyl)-N6-(tert-butoxycarbonyl)-L-lysine
CID 98765
(1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl)-Carbamic Acid Benzyl Ester
CID 5287438
[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester
CID 5289424
Z-L-p-Fluoro-Phe-chloromethylketone
CID 7020265
L-Valinamide, N-((phenylmethoxy)carbonyl)glycyl-N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-, (S)-
CID 452985
[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
CID 455772
N-((Phenylmethoxy)carbonyl)-L-phenylalanyl-L-phenylalanine
CID 114619

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium?
The IUPAC name of (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium (CID 21158904) is (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium.
What is the SMILES notation for (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium?
The canonical SMILES for (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium is N#[N+]CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium?
The InChIKey is VLIGBVLLNSWVMI-MRXNPFEDSA-O. The full InChI is InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1.
What are the key properties of (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium?
(3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium has a molecular weight of 324.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butane-1-diazonium is sourced from PubChem (CID 21158904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).