methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate

C17H24N2O5 — CID 154720980

IUPACmethyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate
SMILESCOC(=O)[C@H](CC1CC1)n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)18-12-6-5-9-19(14(12)20)13(15(21)23-4)10-11-7-8-11/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyZKOHJUYXSVFBRS-ZDUSSCGKSA-N
MW336.39 g/mol
LogP2.71
Rot. Bonds5

About methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate

methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate (PubChem CID 154720980) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate
PubChem CID154720980
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate
SMILESCOC(=O)[C@H](CC1CC1)n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)18-12-6-5-9-19(14(12)20)13(15(21)23-4)10-11-7-8-11/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyZKOHJUYXSVFBRS-ZDUSSCGKSA-N
XLogP2.71
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate?
The IUPAC name of methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate (CID 154720980) is methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate.
What is the SMILES notation for methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate?
The canonical SMILES for methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate is COC(=O)[C@H](CC1CC1)n1cccc(NC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate?
The InChIKey is ZKOHJUYXSVFBRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)18-12-6-5-9-19(14(12)20)13(15(21)23-4)10-11-7-8-11/h5-6,9,11,13H,7-8,10H2,1-4H3,(H,18,22)/t13-/m0/s1.
What are the key properties of methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate?
methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate has a molecular weight of 336.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate is sourced from PubChem (CID 154720980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).