2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid

C10H9N5O7 — CID 71424197

IUPAC2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O7/c16-9(11-5-10(17)18)4-12-13-7-2-1-6(14(19)20)3-8(7)15(21)22/h1-4,13H,5H2,(H,11,16)(H,17,18)
InChIKeyVMQFLWQUZCLIRU-UHFFFAOYSA-N
MW311.21 g/mol
LogP0.10
Rot. Bonds7

About 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid

2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid (PubChem CID 71424197) has the molecular formula C10H9N5O7 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid
PubChem CID71424197
Molecular FormulaC10H9N5O7
Molecular Weight311.21 g/mol
Exact Mass311.05
IUPAC Name2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O7/c16-9(11-5-10(17)18)4-12-13-7-2-1-6(14(19)20)3-8(7)15(21)22/h1-4,13H,5H2,(H,11,16)(H,17,18)
InChIKeyVMQFLWQUZCLIRU-UHFFFAOYSA-N
XLogP0.10
TPSA177.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
CID 15107201
2-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 21370898
N-[(E)-3-aminopropylideneamino]-2,4-dinitroaniline
CID 22462640
N-[(E)-[(Z)-3-methylpent-2-enylidene]amino]-2,4-dinitroaniline
CID 21233701
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6306782
(2R,3S,4Z,5E)-4,5-bis[(2,4-dinitrophenyl)hydrazinylidene]pentane-1,2,3-triol
CID 98513666
4-(2,4-dinitroanilino)-3-oxobutanoic acid
CID 155683066
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid (CID 71424197) is 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid is O=C(O)CNC(=O)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid?
The InChIKey is VMQFLWQUZCLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O7/c16-9(11-5-10(17)18)4-12-13-7-2-1-6(14(19)20)3-8(7)15(21)22/h1-4,13H,5H2,(H,11,16)(H,17,18).
What are the key properties of 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid?
2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid has a molecular weight of 311.21 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dinitrophenyl)hydrazinylidene]acetyl]amino]acetic acid is sourced from PubChem (CID 71424197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).