ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate

C14H22N2O5 — CID 140981408

IUPACethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)CC1(O)NC=CC=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O5/c1-5-20-11(17)9-14(19)10(7-6-8-15-14)16-12(18)21-13(2,3)4/h6-8,15,19H,5,9H2,1-4H3,(H,16,18)
InChIKeyULSLEUUHVVQELN-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.15
Rot. Bonds4

About ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate

ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate (PubChem CID 140981408) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate
PubChem CID140981408
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Nameethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)CC1(O)NC=CC=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O5/c1-5-20-11(17)9-14(19)10(7-6-8-15-14)16-12(18)21-13(2,3)4/h6-8,15,19H,5,9H2,1-4H3,(H,16,18)
InChIKeyULSLEUUHVVQELN-UHFFFAOYSA-N
XLogP1.15
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyridin-2-yl]acetate
CID 140981420
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]indigol-1-yl]acetate
CID 142682531
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
ethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2H-triazole-4-carbonyl]amino]acetate
CID 139600010
ethyl 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]but-3-enoate
CID 170797068
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dihydrotriazol-5-yl]acetate
CID 175076979
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
ethyl 4,4-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59184562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate (CID 140981408) is ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate is CCOC(=O)CC1(O)NC=CC=C1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate?
The InChIKey is ULSLEUUHVVQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-5-20-11(17)9-14(19)10(7-6-8-15-14)16-12(18)21-13(2,3)4/h6-8,15,19H,5,9H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate?
ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate has a molecular weight of 298.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 140981408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).