ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate

C15H22N2O5 — CID 22943409

IUPACethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(N(C)C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H22N2O5/c1-6-21-12(18)10-17-9-7-8-11(13(17)19)16(5)14(20)22-15(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyCOFCMVDAURNCLS-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.78
Rot. Bonds4

About ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate (PubChem CID 22943409) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate
PubChem CID22943409
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nameethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(N(C)C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H22N2O5/c1-6-21-12(18)10-17-9-7-8-11(13(17)19)16(5)14(20)22-15(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyCOFCMVDAURNCLS-UHFFFAOYSA-N
XLogP1.78
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-Butyl 3-nitro-2-oxo-1(2H)-pyridineacetate
CID 18989321
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
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
Ethyl 6-methyl-2-oxo-1(2H)-pyridineacetate
CID 14196015
tert-Butyl 2-(3-acetylamino-2-oxo-1,2-dihydro-1-pyridyl)acetate
CID 74766025
3-Amino-6-methyl-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 10490115
Ethyl 2-(3-amino-2-oxo-1,2-dihydropyridin-1-yl)propanoate
CID 22437481
2-[3-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 22943384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate (CID 22943409) is ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cccc(N(C)C(=O)OC(C)(C)C)c1=O.
What is the InChIKey of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate?
The InChIKey is COFCMVDAURNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-6-21-12(18)10-17-9-7-8-11(13(17)19)16(5)14(20)22-15(2,3)4/h7-9H,6,10H2,1-5H3.
What are the key properties of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate has a molecular weight of 310.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 22943409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).