methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate

C20H21N3O6 — CID 71669806

IUPACmethyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate
SMILESCOC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C20H21N3O6/c1-28-19(26)18(25)21-16(12-14-8-4-2-5-9-14)17(24)22-23-20(27)29-13-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,21,25)(H,22,24)(H,23,27)/t16-/m1/s1
InChIKeyWHAMBNBJWMRTKA-MRXNPFEDSA-N
MW399.40 g/mol
LogP0.84
Rot. Bonds6

About methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate

methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate (PubChem CID 71669806) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate
PubChem CID71669806
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Namemethyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate
SMILESCOC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C20H21N3O6/c1-28-19(26)18(25)21-16(12-14-8-4-2-5-9-14)17(24)22-23-20(27)29-13-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,21,25)(H,22,24)(H,23,27)/t16-/m1/s1
InChIKeyWHAMBNBJWMRTKA-MRXNPFEDSA-N
XLogP0.84
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[1-(2-ethoxycarbonylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 12802541
methyl (3R)-2-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 58773464
benzyl N-[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 12919697
benzyl N-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 73319686
benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
CID 99653330
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 4054781
benzyl (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 14367196
benzyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11068208
ethyl (3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 14393171
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate (CID 71669806) is methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate is COC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate?
The InChIKey is WHAMBNBJWMRTKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-28-19(26)18(25)21-16(12-14-8-4-2-5-9-14)17(24)22-23-20(27)29-13-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,21,25)(H,22,24)(H,23,27)/t16-/m1/s1.
What are the key properties of methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate?
methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate has a molecular weight of 399.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate is sourced from PubChem (CID 71669806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).