[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate

C20H21N3O5 — CID 7214693

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
SMILESCC(=O)NNC(=O)COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O5/c1-14(24)22-23-18(25)13-28-19(26)12-17(15-8-4-2-5-9-15)21-20(27)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,21,27)(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyHRZMBDCPPIAEMZ-KRWDZBQOSA-N
MW383.40 g/mol
LogP1.26
Rot. Bonds7

About [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate

[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate (PubChem CID 7214693) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
PubChem CID7214693
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
SMILESCC(=O)NNC(=O)COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O5/c1-14(24)22-23-18(25)13-28-19(26)12-17(15-8-4-2-5-9-15)21-20(27)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,21,27)(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyHRZMBDCPPIAEMZ-KRWDZBQOSA-N
XLogP1.26
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503850
[2-(2-methylanilino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 2607431
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 8809612
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 55307356
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214914
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-benzamido-3-phenylpropanoate
CID 18226931
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
cyanomethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7214927

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate (CID 7214693) is [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate is CC(=O)NNC(=O)COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
The InChIKey is HRZMBDCPPIAEMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-14(24)22-23-18(25)13-28-19(26)12-17(15-8-4-2-5-9-15)21-20(27)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,21,27)(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate has a molecular weight of 383.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 7214693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).