methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C17H18N2O5 — CID 94017389

IUPACmethyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O5/c1-23-13-6-3-11(4-7-13)14(9-16(21)24-2)19-17(22)12-5-8-15(20)18-10-12/h3-8,10,14H,9H2,1-2H3,(H,18,20)(H,19,22)/t14-/m1/s1
InChIKeyFFFMEDUOOSQSQE-CQSZACIVSA-N
MW330.34 g/mol
LogP1.42
Rot. Bonds6

About methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate

methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 94017389) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID94017389
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Namemethyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O5/c1-23-13-6-3-11(4-7-13)14(9-16(21)24-2)19-17(22)12-5-8-15(20)18-10-12/h3-8,10,14H,9H2,1-2H3,(H,18,20)(H,19,22)/t14-/m1/s1
InChIKeyFFFMEDUOOSQSQE-CQSZACIVSA-N
XLogP1.42
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 45342248
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 134015725
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl (3S)-3-(4-fluorophenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 52733979

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 94017389) is methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is COC(=O)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC)cc1.
What is the InChIKey of methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is FFFMEDUOOSQSQE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-13-6-3-11(4-7-13)14(9-16(21)24-2)19-17(22)12-5-8-15(20)18-10-12/h3-8,10,14H,9H2,1-2H3,(H,18,20)(H,19,22)/t14-/m1/s1.
What are the key properties of methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 330.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 94017389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).