(4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate

C9H11N3O3 — CID 174247627

IUPAC(4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)Oc1ccc(O)cc1
InChIInChI=1S/C9H11N3O3/c10-9(11)12-5-8(14)15-7-3-1-6(13)2-4-7/h1-4,13H,5H2,(H4,10,11,12)
InChIKeyRYWCPMOPMZWEAN-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.43
Rot. Bonds3

About (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate

(4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate (PubChem CID 174247627) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate
PubChem CID174247627
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name(4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)Oc1ccc(O)cc1
InChIInChI=1S/C9H11N3O3/c10-9(11)12-5-8(14)15-7-3-1-6(13)2-4-7/h1-4,13H,5H2,(H4,10,11,12)
InChIKeyRYWCPMOPMZWEAN-UHFFFAOYSA-N
XLogP-0.43
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(trifluoromethyl)phenyl] 2-(diaminomethylideneamino)acetate
CID 174284297
bis(4-hydroxyphenyl) hexanedioate
CID 66769037
hydroxymethyl 2-(diaminomethylideneamino)acetate
CID 174312197
(3-fluoro-2-methylphenyl) 2-(diaminomethylideneamino)acetate
CID 174681982
(4-hydroxyphenyl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 57045611
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
(4-hydroxyphenyl) 2,2-diiodoacetate
CID 87220773
[2-[(diaminomethylideneamino)carbamoyl]phenyl] 2-(diaminomethylideneamino)acetate
CID 22086651
[4-[(2S)-2-amino-3-[4-[(2S)-2-amino-3-[(2S)-2-amino-3-[4-[(2S)-2-amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyphenyl]propanoyl]oxyphenyl]propanoyl]oxy-3-oxopropyl]phenoxy]-3-oxopropyl]phenyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 87736291
bis[4-[(4-hydroxyphenyl)iminomethyl]phenyl] propanedioate
CID 171770387
(4-hydroxyphenyl) 4-bromo-4-sulfanylbutanoate
CID 174520728
(4-hydroxyphenyl) 2-methylbutanoate
CID 14573373

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate?
The IUPAC name of (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate (CID 174247627) is (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate?
The canonical SMILES for (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate is NC(N)=NCC(=O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate?
The InChIKey is RYWCPMOPMZWEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-9(11)12-5-8(14)15-7-3-1-6(13)2-4-7/h1-4,13H,5H2,(H4,10,11,12).
What are the key properties of (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate?
(4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate has a molecular weight of 209.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 174247627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).