methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate

C13H18N2O4 — CID 53401501

IUPACmethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-10-5-9(7-14-8-10)6-11(16)18-4/h5,7-8H,6H2,1-4H3,(H,15,17)
InChIKeyWINLAMOOCXLDKO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate

methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate (PubChem CID 53401501) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
PubChem CID53401501
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-10-5-9(7-14-8-10)6-11(16)18-4/h5,7-8H,6H2,1-4H3,(H,15,17)
InChIKeyWINLAMOOCXLDKO-UHFFFAOYSA-N
XLogP2.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate
CID 141413882
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
CID 131735483
[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl] ethanesulfonate
CID 174776753
methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
tert-butyl N-[5-(phenylmethoxycarbamoyl)-3-pyridinyl]carbamate
CID 164753912
methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 68843601
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate
CID 20824070
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
CID 57416500
methyl 2-[3-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-4-yl]acetate
CID 164525057
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
CID 177349061

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate (CID 53401501) is methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate is COC(=O)Cc1cncc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
The InChIKey is WINLAMOOCXLDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-10-5-9(7-14-8-10)6-11(16)18-4/h5,7-8H,6H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate has a molecular weight of 266.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate is sourced from PubChem (CID 53401501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).