(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid

C9H11N3O2 — CID 68518581

IUPAC(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid
SMILESCc1cccc(N/N=C(\N)C(=O)O)c1
InChIInChI=1S/C9H11N3O2/c1-6-3-2-4-7(5-6)11-12-8(10)9(13)14/h2-5,11H,1H3,(H2,10,12)(H,13,14)
InChIKeyYOYNFEMZRMZPFV-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.76
Rot. Bonds2

About (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid

(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid (PubChem CID 68518581) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid
PubChem CID68518581
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid
SMILESCc1cccc(N/N=C(\N)C(=O)O)c1
InChIInChI=1S/C9H11N3O2/c1-6-3-2-4-7(5-6)11-12-8(10)9(13)14/h2-5,11H,1H3,(H2,10,12)(H,13,14)
InChIKeyYOYNFEMZRMZPFV-UHFFFAOYSA-N
XLogP0.76
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid
CID 23269447
N'-anilino-2-oxopropanimidamide
CID 6340113
ethyl (2Z)-2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
CID 5359955
3-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]aniline
CID 9060581
(2Z,3Z)-1-(furan-2-yl)-3-hydrazinylidene-2-[(3-methylphenyl)hydrazinylidene]propan-1-one
CID 6525778
N-(3-methylphenyl)acetamide
CID 10843
(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
CID 6392506
2-(3-methylanilino)-2-sulfanylideneacetamide
CID 17385629
(2E)-2-amino-2-(3-methylbenzoyl)oxyiminoacetic acid
CID 87481243
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270
(1E)-2-(4-chlorophenyl)-N-(3-methylanilino)-2-oxoethanimidoyl cyanide
CID 5410446
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid?
The IUPAC name of (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid (CID 68518581) is (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid.
What is the SMILES notation for (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid?
The canonical SMILES for (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid is Cc1cccc(N/N=C(\N)C(=O)O)c1.
What is the InChIKey of (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid?
The InChIKey is YOYNFEMZRMZPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-3-2-4-7(5-6)11-12-8(10)9(13)14/h2-5,11H,1H3,(H2,10,12)(H,13,14).
What are the key properties of (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid?
(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid has a molecular weight of 193.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 68518581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).