methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate

C17H19N3O6 — CID 20788772

IUPACmethyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C17H19N3O6/c1-10(16(22)25-4)18-15(21)11-7-5-6-8-12(11)26-17-19-13(23-2)9-14(20-17)24-3/h5-10H,1-4H3,(H,18,21)/t10-/m1/s1
InChIKeyBGXRZTLNDGUBAP-SNVBAGLBSA-N
MW361.35 g/mol
LogP1.58
Rot. Bonds7

About methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate

methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate (PubChem CID 20788772) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
PubChem CID20788772
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Namemethyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C17H19N3O6/c1-10(16(22)25-4)18-15(21)11-7-5-6-8-12(11)26-17-19-13(23-2)9-14(20-17)24-3/h5-10H,1-4H3,(H,18,21)/t10-/m1/s1
InChIKeyBGXRZTLNDGUBAP-SNVBAGLBSA-N
XLogP1.58
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate with MolForge

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pent-4-enoate
CID 20788800
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-4-methylpentanoate
CID 20788796
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 20788818
prop-2-enyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-3-methylpentanoate
CID 20788816
methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate
CID 18953276
diethyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate
CID 3576006
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975
N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 20850303
N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 56969549

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate (CID 20788772) is methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate?
The InChIKey is BGXRZTLNDGUBAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-10(16(22)25-4)18-15(21)11-7-5-6-8-12(11)26-17-19-13(23-2)9-14(20-17)24-3/h5-10H,1-4H3,(H,18,21)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate?
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate has a molecular weight of 361.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate is sourced from PubChem (CID 20788772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).