ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate

C19H27N3O6 — CID 150000554

IUPACethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NCC(=O)OC(C)CC
InChIInChI=1S/C19H27N3O6/c1-4-13(3)28-16(23)12-20-15(11-14-9-7-6-8-10-14)17(24)21-22-18(25)19(26)27-5-2/h6-10,13,15,20H,4-5,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13?,15-/m1/s1
InChIKeyDBEQANMBHSGHQQ-AWKYBWMHSA-N
MW393.44 g/mol
LogP0.24
Rot. Bonds9

About ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate

ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate (PubChem CID 150000554) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate
PubChem CID150000554
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Nameethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NCC(=O)OC(C)CC
InChIInChI=1S/C19H27N3O6/c1-4-13(3)28-16(23)12-20-15(11-14-9-7-6-8-10-14)17(24)21-22-18(25)19(26)27-5-2/h6-10,13,15,20H,4-5,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13?,15-/m1/s1
InChIKeyDBEQANMBHSGHQQ-AWKYBWMHSA-N
XLogP0.24
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680450
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
benzyl N-[1-(2-ethoxycarbonylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 12802541
methyl 2-oxo-2-[[(2R)-1-oxo-3-phenyl-1-(2-phenylmethoxycarbonylhydrazinyl)propan-2-yl]amino]acetate
CID 71669806
ethyl 2-[[1-oxo-3-phenyl-1-(3-pyrimidin-5-ylanilino)propan-2-yl]amino]acetate;hydrochloride
CID 67497534
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
butan-2-yl 3-phenylpropanoate
CID 562005
ethyl (3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 14393171
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
propan-2-yl 2-(chloroamino)-3-phenylpropanoate
CID 174436263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate (CID 150000554) is ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNC(=O)[C@@H](Cc1ccccc1)NCC(=O)OC(C)CC.
What is the InChIKey of ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate?
The InChIKey is DBEQANMBHSGHQQ-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-4-13(3)28-16(23)12-20-15(11-14-9-7-6-8-10-14)17(24)21-22-18(25)19(26)27-5-2/h6-10,13,15,20H,4-5,11-12H2,1-3H3,(H,21,24)(H,22,25)/t13?,15-/m1/s1.
What are the key properties of ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate?
ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate has a molecular weight of 393.44 g/mol, XLogP of 0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2R)-2-[(2-butan-2-yloxy-2-oxoethyl)amino]-3-phenylpropanoyl]hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 150000554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).