2-(3-chlorophenyl)-2-hydrazinylacetic acid

C8H9ClN2O2 — CID 82125968

IUPAC2-(3-chlorophenyl)-2-hydrazinylacetic acid
SMILESNNC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-3-1-2-5(4-6)7(11-10)8(12)13/h1-4,7,11H,10H2,(H,12,13)
InChIKeyLTKUGUOZWSFLLR-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.93
Rot. Bonds3

About 2-(3-chlorophenyl)-2-hydrazinylacetic acid

2-(3-chlorophenyl)-2-hydrazinylacetic acid (PubChem CID 82125968) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydrazinylacetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-hydrazinylacetic acid
PubChem CID82125968
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name2-(3-chlorophenyl)-2-hydrazinylacetic acid
SMILESNNC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-3-1-2-5(4-6)7(11-10)8(12)13/h1-4,7,11H,10H2,(H,12,13)
InChIKeyLTKUGUOZWSFLLR-UHFFFAOYSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 174705607
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
CID 71541213
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
2-(3-chlorophenyl)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methylamino]acetic acid
CID 166226917
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydrazinylacetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-hydrazinylacetic acid (CID 82125968) is 2-(3-chlorophenyl)-2-hydrazinylacetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-hydrazinylacetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-hydrazinylacetic acid is NNC(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-hydrazinylacetic acid?
The InChIKey is LTKUGUOZWSFLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-3-1-2-5(4-6)7(11-10)8(12)13/h1-4,7,11H,10H2,(H,12,13).
What are the key properties of 2-(3-chlorophenyl)-2-hydrazinylacetic acid?
2-(3-chlorophenyl)-2-hydrazinylacetic acid has a molecular weight of 200.63 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-hydrazinylacetic acid is sourced from PubChem (CID 82125968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).