ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate

C15H22N2O5 — CID 126836049

IUPACethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)C(O)c1ccncc1
InChIInChI=1S/C15H22N2O5/c1-5-21-13(19)11(17-14(20)22-15(2,3)4)12(18)10-6-8-16-9-7-10/h6-9,11-12,18H,5H2,1-4H3,(H,17,20)
InChIKeyLUTAFCQKHIGHJH-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.57
Rot. Bonds5

About ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate

ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate (PubChem CID 126836049) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
PubChem CID126836049
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nameethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)C(O)c1ccncc1
InChIInChI=1S/C15H22N2O5/c1-5-21-13(19)11(17-14(20)22-15(2,3)4)12(18)10-6-8-16-9-7-10/h6-9,11-12,18H,5H2,1-4H3,(H,17,20)
InChIKeyLUTAFCQKHIGHJH-UHFFFAOYSA-N
XLogP1.57
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 125449408
ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 125449410
ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate
CID 125452807
(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
CID 59864496
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
CID 59864494
ethyl 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146286748
ethyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoate
CID 102314551
ethyl (2S,3R)-3-(2-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 100995159
ethyl (2S,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102261237
tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride
CID 141300138
ethyl 3-hydroxy-2-[(2-pentoxyacetyl)amino]-3-pyridin-4-ylpropanoate
CID 126830361
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138474448

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate?
The IUPAC name of ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate (CID 126836049) is ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate is CCOC(=O)C(NC(=O)OC(C)(C)C)C(O)c1ccncc1.
What is the InChIKey of ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate?
The InChIKey is LUTAFCQKHIGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-5-21-13(19)11(17-14(20)22-15(2,3)4)12(18)10-6-8-16-9-7-10/h6-9,11-12,18H,5H2,1-4H3,(H,17,20).
What are the key properties of ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate?
ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate has a molecular weight of 310.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 126836049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).