ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate

C14H20N2O5 — CID 22943403

IUPACethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H20N2O5/c1-5-20-11(17)9-16-8-6-7-10(12(16)18)15-13(19)21-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,19)
InChIKeyVPGOODMGKDZDJH-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.76
Rot. Bonds4

About ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate (PubChem CID 22943403) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate
PubChem CID22943403
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H20N2O5/c1-5-20-11(17)9-16-8-6-7-10(12(16)18)15-13(19)21-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,19)
InChIKeyVPGOODMGKDZDJH-UHFFFAOYSA-N
XLogP1.76
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
CID 10444200
Ethyl 2-(3-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 10035571
Methyl (3-amino-2-oxopyridin-1(2H)-yl)acetate
CID 18690858
2-(5-(((Tert-butoxy)carbonyl)amino)-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 154883284
Ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate
CID 45271635
3-Amino-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 4456265
2-(3-(((Tert-butoxy)carbonyl)amino)-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 2755970
Methyl 2-(3-amino-2-oxopyridin-1(2H)-yl)acetate hydrochloride
CID 138585376
tert-Butyl 2-(3-acetylamino-2-oxo-1,2-dihydro-1-pyridyl)acetate
CID 74766025
tert-butyl N-[1-(2-fluoroethyl)-2-oxo-1,2-dihydropyridin-3-yl]carbamate
CID 165915364
3-Amino-6-methyl-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 10490115
Ethyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-YL)acetate
CID 20119263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate (CID 22943403) is ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cccc(NC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate?
The InChIKey is VPGOODMGKDZDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-5-20-11(17)9-16-8-6-7-10(12(16)18)15-13(19)21-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,19).
What are the key properties of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate has a molecular weight of 296.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 22943403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).