methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate

C17H18N2O5 — CID 84581693

IUPACmethyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate
SMILESCOC(=O)C(NC(=O)c1ccncc1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O5/c1-23-13-5-3-11(4-6-13)15(20)14(17(22)24-2)19-16(21)12-7-9-18-10-8-12/h3-10,14-15,20H,1-2H3,(H,19,21)
InChIKeyAOPIVEANNLKKTH-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.10
Rot. Bonds6

About methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate

methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate (PubChem CID 84581693) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate
PubChem CID84581693
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Namemethyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate
SMILESCOC(=O)C(NC(=O)c1ccncc1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O5/c1-23-13-5-3-11(4-6-13)15(20)14(17(22)24-2)19-16(21)12-7-9-18-10-8-12/h3-10,14-15,20H,1-2H3,(H,19,21)
InChIKeyAOPIVEANNLKKTH-UHFFFAOYSA-N
XLogP1.10
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
CID 84581659
methyl 3-hydroxy-2-[(3-hydroxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 84582172
N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)-4-methoxybenzamide
CID 68955974
methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138474448
methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 135065937
methyl (2R,3S)-3-methyl-2-(pyridine-4-carbonylamino)pent-4-enoate
CID 97256626
methyl (2S,3S)-3-methyl-2-(pyridine-4-carbonylamino)pent-4-enoate
CID 97256624
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 84579662
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate (CID 84581693) is methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate is COC(=O)C(NC(=O)c1ccncc1)C(O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate?
The InChIKey is AOPIVEANNLKKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-13-5-3-11(4-6-13)15(20)14(17(22)24-2)19-16(21)12-7-9-18-10-8-12/h3-10,14-15,20H,1-2H3,(H,19,21).
What are the key properties of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate?
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate has a molecular weight of 330.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate is sourced from PubChem (CID 84581693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).