4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid

C7H10N2O5 — CID 91435243

IUPAC4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid
SMILESCONC1=C(C(=O)O)CN(C(=O)O)C1
InChIInChI=1S/C7H10N2O5/c1-14-8-5-3-9(7(12)13)2-4(5)6(10)11/h8H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyWOJXZKNAQONIPK-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.53
Rot. Bonds3

About 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid

4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid (PubChem CID 91435243) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid
PubChem CID91435243
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid
SMILESCONC1=C(C(=O)O)CN(C(=O)O)C1
InChIInChI=1S/C7H10N2O5/c1-14-8-5-3-9(7(12)13)2-4(5)6(10)11/h8H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyWOJXZKNAQONIPK-UHFFFAOYSA-N
XLogP-0.53
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethoxy-1,3-dihydroisoindole-2-carboxylic acid
CID 67544480
3-(1-fluoroethenyl)-4-methyl-2,5-dihydropyrrole-1-carboxylic acid
CID 123361431
4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 141365416
5,5-dimethyl-4-(trifluoromethylsulfonyloxy)-2,6-dihydropyridine-1,3-dicarboxylic acid
CID 91184670
iodomethane;piperidine-1-carboxylic acid
CID 159672368
4-(methoxyamino)benzoic acid
CID 58668568
N-methoxyazocane-1-carboxamide
CID 130891205
4-methoxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid
CID 22937854
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066
6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid
CID 22328659
4-methyl-5-(prop-2-enoxyamino)-3-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122673521
4-amino-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103790

Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid?
The IUPAC name of 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid (CID 91435243) is 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid?
The canonical SMILES for 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid is CONC1=C(C(=O)O)CN(C(=O)O)C1.
What is the InChIKey of 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid?
The InChIKey is WOJXZKNAQONIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-14-8-5-3-9(7(12)13)2-4(5)6(10)11/h8H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid?
4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid has a molecular weight of 202.17 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyamino)-2,5-dihydropyrrole-1,3-dicarboxylic acid is sourced from PubChem (CID 91435243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).