3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C16H16N2O5 — CID 45342248

IUPAC3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C16H16N2O5/c1-23-12-5-2-10(3-6-12)13(8-15(20)21)18-16(22)11-4-7-14(19)17-9-11/h2-7,9,13H,8H2,1H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyBYGYYWWTYMQTPN-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.33
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 45342248) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID45342248
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C16H16N2O5/c1-23-12-5-2-10(3-6-12)13(8-15(20)21)18-16(22)11-4-7-14(19)17-9-11/h2-7,9,13H,8H2,1H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyBYGYYWWTYMQTPN-UHFFFAOYSA-N
XLogP1.33
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 94017389
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
3-(4-methoxyphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 45436828
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432205
3-[(3-cyanobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 154775247
3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 5006095
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 45342248) is 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is BYGYYWWTYMQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-23-12-5-2-10(3-6-12)13(8-15(20)21)18-16(22)11-4-7-14(19)17-9-11/h2-7,9,13H,8H2,1H3,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 316.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 45342248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).