2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid

C10H14N4O3 — CID 57225066

IUPAC2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid
SMILESCOc1cc(/N=C(\N)NN)ccc1CC(=O)O
InChIInChI=1S/C10H14N4O3/c1-17-8-5-7(13-10(11)14-12)3-2-6(8)4-9(15)16/h2-3,5H,4,12H2,1H3,(H,15,16)(H3,11,13,14)
InChIKeyVQFYBMQUPDWMHR-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.27
Rot. Bonds4

About 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid

2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid (PubChem CID 57225066) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid
PubChem CID57225066
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid
SMILESCOc1cc(/N=C(\N)NN)ccc1CC(=O)O
InChIInChI=1S/C10H14N4O3/c1-17-8-5-7(13-10(11)14-12)3-2-6(8)4-9(15)16/h2-3,5H,4,12H2,1H3,(H,15,16)(H3,11,13,14)
InChIKeyVQFYBMQUPDWMHR-UHFFFAOYSA-N
XLogP-0.27
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide
CID 142011793
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
2-[2-methoxy-4-(4-methoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879209
methyl 4-(diaminomethylideneamino)-2-methoxybenzoate;hydrochloride
CID 117064548
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
4-[4-(carboxymethyl)-3-methoxyphenyl]sulfanylbenzoic acid
CID 91878652
2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid
CID 71628364
4-[[4-(3-carboxypropanoyloxymethyl)-2,5-dimethoxyphenyl]methoxy]-4-oxobutanoic acid
CID 14545006
2-[4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169481023

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid (CID 57225066) is 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid is COc1cc(/N=C(\N)NN)ccc1CC(=O)O.
What is the InChIKey of 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid?
The InChIKey is VQFYBMQUPDWMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-8-5-7(13-10(11)14-12)3-2-6(8)4-9(15)16/h2-3,5H,4,12H2,1H3,(H,15,16)(H3,11,13,14).
What are the key properties of 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid?
2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid has a molecular weight of 238.25 g/mol, XLogP of -0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 57225066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).