2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc

C10H12N2O4Zn — CID 88642058

IUPAC2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc
SMILESNCCNOC(=O)c1ccccc1C(=O)O.[Zn]
InChIInChI=1S/C10H12N2O4.Zn/c11-5-6-12-16-10(15)8-4-2-1-3-7(8)9(13)14;/h1-4,12H,5-6,11H2,(H,13,14);
InChIKeyJIBAOUGMGFAJQI-UHFFFAOYSA-N
MW289.61 g/mol
LogP0.00
Rot. Bonds5

About 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc

2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc (PubChem CID 88642058) has the molecular formula C10H12N2O4Zn and a molecular weight of 289.61 g/mol. Its IUPAC name is 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc.

Molecular Properties

Compound Name2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc
PubChem CID88642058
Molecular FormulaC10H12N2O4Zn
Molecular Weight289.61 g/mol
Exact Mass288.01
IUPAC Name2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc
SMILESNCCNOC(=O)c1ccccc1C(=O)O.[Zn]
InChIInChI=1S/C10H12N2O4.Zn/c11-5-6-12-16-10(15)8-4-2-1-3-7(8)9(13)14;/h1-4,12H,5-6,11H2,(H,13,14);
InChIKeyJIBAOUGMGFAJQI-UHFFFAOYSA-N
XLogP0.00
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.61
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dodecylamino)oxycarbonylbenzoic acid
CID 139651025
(2-aminoethylamino) 2-hydroxy-2-phenylacetate
CID 87438993
CID 66717184
CID 66717184
calcium;2-(3-aminopropanoyloxycarbonyl)benzoic acid;hydride
CID 175163689
2-(aminomethoxycarbonyl)benzoic acid;ethane;molecular hydrogen
CID 178047653
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
3-amino-2-(2-aminoethylamino)benzoic acid
CID 2771662
methanediol;phthalic acid
CID 70525231
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc?
The IUPAC name of 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc (CID 88642058) is 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc.
What is the SMILES notation for 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc?
The canonical SMILES for 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc is NCCNOC(=O)c1ccccc1C(=O)O.[Zn].
What is the InChIKey of 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc?
The InChIKey is JIBAOUGMGFAJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4.Zn/c11-5-6-12-16-10(15)8-4-2-1-3-7(8)9(13)14;/h1-4,12H,5-6,11H2,(H,13,14);.
What are the key properties of 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc?
2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc has a molecular weight of 289.61 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)oxycarbonylbenzoic acid;zinc is sourced from PubChem (CID 88642058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).