methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate

C16H17NO5 — CID 91155813

IUPACmethyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)OCc1ccccc1)C1=CC=CCO1
InChIInChI=1S/C16H17NO5/c1-20-15(18)11-17(14-9-5-6-10-21-14)16(19)22-12-13-7-3-2-4-8-13/h2-9H,10-12H2,1H3
InChIKeyOGKQEOOLLMIWHX-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate

methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate (PubChem CID 91155813) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate
PubChem CID91155813
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate
SMILESCOC(=O)CN(C(=O)OCc1ccccc1)C1=CC=CCO1
InChIInChI=1S/C16H17NO5/c1-20-15(18)11-17(14-9-5-6-10-21-14)16(19)22-12-13-7-3-2-4-8-13/h2-9H,10-12H2,1H3
InChIKeyOGKQEOOLLMIWHX-UHFFFAOYSA-N
XLogP2.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
2H-pyran-6-yl 2-(phenylmethoxycarbonylamino)acetate
CID 91218425
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
methyl 2-[phenylmethoxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]acetate
CID 11645787
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
methyl 2-[(3-benzyl-2-methylindolizin-8-yl)-phenylmethoxycarbonylamino]acetate
CID 10670855
methyl 2-[phenylmethoxycarbonyl-[(2S,3S,4S,5S)-2,3,4,5-tetrakis(phenylmethoxy)hexyl]amino]acetate
CID 167395669
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
methyl 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethoxycarbonylamino]ethylamino]acetate
CID 102074502

Frequently Asked Questions

What is the IUPAC name of methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate?
The IUPAC name of methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate (CID 91155813) is methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate?
The canonical SMILES for methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate is COC(=O)CN(C(=O)OCc1ccccc1)C1=CC=CCO1.
What is the InChIKey of methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate?
The InChIKey is OGKQEOOLLMIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-20-15(18)11-17(14-9-5-6-10-21-14)16(19)22-12-13-7-3-2-4-8-13/h2-9H,10-12H2,1H3.
What are the key properties of methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate?
methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate has a molecular weight of 303.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[phenylmethoxycarbonyl(2H-pyran-6-yl)amino]acetate is sourced from PubChem (CID 91155813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).