2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate

C15H15NO5 — CID 91218425

IUPAC2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCc1ccccc1)OC1=CC=CCO1
InChIInChI=1S/C15H15NO5/c17-13(21-14-8-4-5-9-19-14)10-16-15(18)20-11-12-6-2-1-3-7-12/h1-8H,9-11H2,(H,16,18)
InChIKeyLJFNGVMQAVCCOD-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.88
Rot. Bonds5

About 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate

2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate (PubChem CID 91218425) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Name2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate
PubChem CID91218425
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCc1ccccc1)OC1=CC=CCO1
InChIInChI=1S/C15H15NO5/c17-13(21-14-8-4-5-9-19-14)10-16-15(18)20-11-12-6-2-1-3-7-12/h1-8H,9-11H2,(H,16,18)
InChIKeyLJFNGVMQAVCCOD-UHFFFAOYSA-N
XLogP1.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(phenylmethoxycarbonylamino)acetyl]oxybenzoic acid
CID 70183021
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
CID 17936
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994
benzyl N-(5,5-dimethyl-2-oxohexyl)carbamate
CID 165468544
methyl 2-[[2-[[2-[[2-(phenylmethoxycarbonylamino)ethanethioyl]amino]ethanethioyl]amino]ethanethioyl]amino]acetate
CID 102434309
methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate
CID 91155813
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042

Frequently Asked Questions

What is the IUPAC name of 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate (CID 91218425) is 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate is O=C(CNC(=O)OCc1ccccc1)OC1=CC=CCO1.
What is the InChIKey of 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is LJFNGVMQAVCCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-13(21-14-8-4-5-9-19-14)10-16-15(18)20-11-12-6-2-1-3-7-12/h1-8H,9-11H2,(H,16,18).
What are the key properties of 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate?
2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 289.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 91218425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).