(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid

C13H10ClN3O4 — CID 107314268

IUPAC(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H10ClN3O4/c14-8-4-2-1-3-7(8)11(13(20)21)15-12(19)9-5-6-10(18)17-16-9/h1-6,11H,(H,15,19)(H,17,18)(H,20,21)/t11-/m1/s1
InChIKeyMDXIZQIHIKTDBX-LLVKDONJSA-N
MW307.69 g/mol
LogP0.98
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid (PubChem CID 107314268) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
PubChem CID107314268
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H10ClN3O4/c14-8-4-2-1-3-7(8)11(13(20)21)15-12(19)9-5-6-10(18)17-16-9/h1-6,11H,(H,15,19)(H,17,18)(H,20,21)/t11-/m1/s1
InChIKeyMDXIZQIHIKTDBX-LLVKDONJSA-N
XLogP0.98
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 107314623
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315066
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 43008369
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315280
2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 62694960
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
(2R)-2-(2-chlorophenyl)-2-[(3-hydroxypyridine-4-carbonyl)amino]acetic acid
CID 107314458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid (CID 107314268) is (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1Cl)c1ccc(=O)[nH]n1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
The InChIKey is MDXIZQIHIKTDBX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-8-4-2-1-3-7(8)11(13(20)21)15-12(19)9-5-6-10(18)17-16-9/h1-6,11H,(H,15,19)(H,17,18)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid has a molecular weight of 307.69 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 107314268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).