methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C16H25N3O5 — CID 131738322

IUPACmethyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@@H](COCc1cc(C)cc(N)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O5/c1-10-6-11(18-13(17)7-10)8-23-9-12(14(20)22-5)19-15(21)24-16(2,3)4/h6-7,12H,8-9H2,1-5H3,(H2,17,18)(H,19,21)/t12-/m1/s1
InChIKeyJPIUYFGOQFAWGS-GFCCVEGCSA-N
MW339.39 g/mol
LogP1.56
Rot. Bonds6

About methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 131738322) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID131738322
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Namemethyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@@H](COCc1cc(C)cc(N)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O5/c1-10-6-11(18-13(17)7-10)8-23-9-12(14(20)22-5)19-15(21)24-16(2,3)4/h6-7,12H,8-9H2,1-5H3,(H2,17,18)(H,19,21)/t12-/m1/s1
InChIKeyJPIUYFGOQFAWGS-GFCCVEGCSA-N
XLogP1.56
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,4,6-trimethylphenoxy)propanoate
CID 58592000
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
tert-butyl N-[3-(6-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831786
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yloxypropanoate
CID 118862766
methyl (2S)-2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylmethoxypropanoate
CID 59709908
methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoate
CID 10695122
methyl 3-butoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134525885
methyl (2S)-4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 15234707
methyl (2R)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135055605
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
methyl (2S)-3-(4-hydroxy-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68762614
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 131738322) is methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@@H](COCc1cc(C)cc(N)n1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is JPIUYFGOQFAWGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-10-6-11(18-13(17)7-10)8-23-9-12(14(20)22-5)19-15(21)24-16(2,3)4/h6-7,12H,8-9H2,1-5H3,(H2,17,18)(H,19,21)/t12-/m1/s1.
What are the key properties of methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 339.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 131738322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).