tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate

C14H20N2O4 — CID 14182511

IUPACtert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
SMILESCC(C)(C)OC(=O)CNNC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)9-15-16-13(18)19-10-11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3,(H,16,18)
InChIKeyWXLMEMLCQSXRTL-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.76
Rot. Bonds5

About tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate

tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate (PubChem CID 14182511) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
PubChem CID14182511
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
SMILESCC(C)(C)OC(=O)CNNC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)9-15-16-13(18)19-10-11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3,(H,16,18)
InChIKeyWXLMEMLCQSXRTL-UHFFFAOYSA-N
XLogP1.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.76
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

benzyl (3R)-3-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 158977927
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate
CID 10838850
tert-butyl 2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]acetate
CID 10412070
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
tert-butyl 2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 5256418
tert-butyl (2R)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 71275618
tert-butyl 2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]-[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetate
CID 57029548
tert-butyl 2-[[(2S)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]acetate
CID 90850485
tert-butyl (3S)-4-hydroxy-3-(phenylmethoxycarbonylamino)pentanoate
CID 91448999
benzyl 4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]oxybutanoate
CID 138698596

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate?
The IUPAC name of tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate (CID 14182511) is tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate.
What is the SMILES notation for tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate?
The canonical SMILES for tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate is CC(C)(C)OC(=O)CNNC(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate?
The InChIKey is WXLMEMLCQSXRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)9-15-16-13(18)19-10-11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate?
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate has a molecular weight of 280.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate is sourced from PubChem (CID 14182511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).