2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid

C14H20N2O5 — CID 118177055

IUPAC2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C14H20N2O5/c17-10-6-7-16(9-4-2-1-3-5-9)14(21)12(10)13(20)15-8-11(18)19/h9,17H,1-8H2,(H,15,20)(H,18,19)
InChIKeyHXKWJPRFGYIAQD-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.56
Rot. Bonds4

About 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid

2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid (PubChem CID 118177055) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid
PubChem CID118177055
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C14H20N2O5/c17-10-6-7-16(9-4-2-1-3-5-9)14(21)12(10)13(20)15-8-11(18)19/h9,17H,1-8H2,(H,15,20)(H,18,19)
InChIKeyHXKWJPRFGYIAQD-UHFFFAOYSA-N
XLogP0.56
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[(4-cyclopentyloxyphenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177025
2-[[4-hydroxy-6-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176816
4-[[5-(carboxymethylcarbamoyl)-4-hydroxy-6-oxo-2,3-dihydropyridin-1-yl]methyl]benzoic acid
CID 118177074
2-[[4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176811
2-[[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176904
2-[[1-[(4-ethylphenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176826
2-[[4-hydroxy-6-oxo-1-[[4-(4-phenylphenyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177165
2-[[1-[[4-(carboxymethoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177078
2-[[1-[[4-cyclobutyl-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177004
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831194
2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid
CID 59313208

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid (CID 118177055) is 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(C2CCCCC2)C1=O.
What is the InChIKey of 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid?
The InChIKey is HXKWJPRFGYIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c17-10-6-7-16(9-4-2-1-3-5-9)14(21)12(10)13(20)15-8-11(18)19/h9,17H,1-8H2,(H,15,20)(H,18,19).
What are the key properties of 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid?
2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 118177055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).