methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C15H22N2O5 — CID 11415646

IUPACmethyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](Cc1ccc(OC)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-12(13(18)21-5)8-10-6-7-11(20-4)9-16-10/h6-7,9,12H,8H2,1-5H3,(H,17,19)/t12-/m0/s1
InChIKeyYQSSAPZEVLZMST-LBPRGKRZSA-N
MW310.35 g/mol
LogP1.70
Rot. Bonds5

About methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 11415646) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID11415646
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namemethyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](Cc1ccc(OC)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-12(13(18)21-5)8-10-6-7-11(20-4)9-16-10/h6-7,9,12H,8H2,1-5H3,(H,17,19)/t12-/m0/s1
InChIKeyYQSSAPZEVLZMST-LBPRGKRZSA-N
XLogP1.70
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 11415646) is methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@H](Cc1ccc(OC)cn1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is YQSSAPZEVLZMST-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-12(13(18)21-5)8-10-6-7-11(20-4)9-16-10/h6-7,9,12H,8H2,1-5H3,(H,17,19)/t12-/m0/s1.
What are the key properties of methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 310.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 11415646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).