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

C15H22N2O5 — CID 125452807

IUPACethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cccnc1
InChIInChI=1S/C15H22N2O5/c1-5-21-13(19)11(17-14(20)22-15(2,3)4)12(18)10-7-6-8-16-9-10/h6-9,11-12,18H,5H2,1-4H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyLGFLSAWHYRTHHD-VXGBXAGGSA-N
MW310.35 g/mol
LogP1.57
Rot. Bonds5

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

ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate (PubChem CID 125452807) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate
PubChem CID125452807
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nameethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cccnc1
InChIInChI=1S/C15H22N2O5/c1-5-21-13(19)11(17-14(20)22-15(2,3)4)12(18)10-7-6-8-16-9-10/h6-9,11-12,18H,5H2,1-4H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyLGFLSAWHYRTHHD-VXGBXAGGSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate (CID 125452807) is ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate is CCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cccnc1.
What is the InChIKey of ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate?
The InChIKey is LGFLSAWHYRTHHD-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-5-21-13(19)11(17-14(20)22-15(2,3)4)12(18)10-7-6-8-16-9-10/h6-9,11-12,18H,5H2,1-4H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate?
ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-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 (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 125452807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).