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

C14H20N2O4 — CID 174765561

IUPACethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-5-19-11(17)9-10-7-6-8-15-12(10)16-13(18)20-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16,18)
InChIKeyZVYYCDNACVRAEN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.53
Rot. Bonds4

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

ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate (PubChem CID 174765561) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
PubChem CID174765561
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-5-19-11(17)9-10-7-6-8-15-12(10)16-13(18)20-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16,18)
InChIKeyZVYYCDNACVRAEN-UHFFFAOYSA-N
XLogP2.53
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 125458773
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethane;ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyphenyl]acetate
CID 156725209
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
ethyl (E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoate
CID 175668642
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate
CID 165498868
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666
ethyl 2-quinolin-8-ylacetate
CID 52562898
tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate
CID 59769540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate (CID 174765561) is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate is CCOC(=O)Cc1cccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
The InChIKey is ZVYYCDNACVRAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-19-11(17)9-10-7-6-8-15-12(10)16-13(18)20-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,15,16,18).
What are the key properties of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate?
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate has a molecular weight of 280.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate is sourced from PubChem (CID 174765561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).