ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate

C13H18N2O4 — CID 22956502

IUPACethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
SMILESCCOC(=O)C(C)NNC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-3-18-12(16)10(2)14-15-13(17)19-9-11-7-5-4-6-8-11/h4-8,10,14H,3,9H2,1-2H3,(H,15,17)
InChIKeyQIEZLFQTWYHBNE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.37
Rot. Bonds6

About ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate

ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate (PubChem CID 22956502) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
PubChem CID22956502
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
SMILESCCOC(=O)C(C)NNC(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c1-3-18-12(16)10(2)14-15-13(17)19-9-11-7-5-4-6-8-11/h4-8,10,14H,3,9H2,1-2H3,(H,15,17)
InChIKeyQIEZLFQTWYHBNE-UHFFFAOYSA-N
XLogP1.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
ethyl 3-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 68727772
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
octyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699627
pentadecyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699643
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
CID 69028409
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate?
The IUPAC name of ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate (CID 22956502) is ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate.
What is the SMILES notation for ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate?
The canonical SMILES for ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate is CCOC(=O)C(C)NNC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate?
The InChIKey is QIEZLFQTWYHBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-12(16)10(2)14-15-13(17)19-9-11-7-5-4-6-8-11/h4-8,10,14H,3,9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate?
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate has a molecular weight of 266.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate is sourced from PubChem (CID 22956502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).