(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid

C14H15N3O4 — CID 61143499

IUPAC(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCN1N=C(C(=O)N[C@@H](C(=O)O)c2ccccc2)CCC1=O
InChIInChI=1S/C14H15N3O4/c1-17-11(18)8-7-10(16-17)13(19)15-12(14(20)21)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,15,19)(H,20,21)/t12-/m1/s1
InChIKeyDSMPVWXWRHJDCG-GFCCVEGCSA-N
MW289.29 g/mol
LogP0.54
Rot. Bonds4

About (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61143499) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID61143499
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
SMILESCN1N=C(C(=O)N[C@@H](C(=O)O)c2ccccc2)CCC1=O
InChIInChI=1S/C14H15N3O4/c1-17-11(18)8-7-10(16-17)13(19)15-12(14(20)21)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,15,19)(H,20,21)/t12-/m1/s1
InChIKeyDSMPVWXWRHJDCG-GFCCVEGCSA-N
XLogP0.54
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38041767
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 93054890
4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 61243686
(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 114004932
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide
CID 95094303
5-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43171957
1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 31442892
N-[2,6-di(propan-2-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285482
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetic acid
CID 107971318
3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 81362997

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid (CID 61143499) is (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid is CN1N=C(C(=O)N[C@@H](C(=O)O)c2ccccc2)CCC1=O.
What is the InChIKey of (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is DSMPVWXWRHJDCG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-17-11(18)8-7-10(16-17)13(19)15-12(14(20)21)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,15,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61143499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).