(2-aminoethylamino) acetate;cadmium;dihydrate

C4H14CdN2O4 — CID 174988758

IUPAC(2-aminoethylamino) acetate;cadmium;dihydrate
SMILESCC(=O)ONCCN.O.O.[Cd]
InChIInChI=1S/C4H10N2O2.Cd.2H2O/c1-4(7)8-6-3-2-5;;;/h6H,2-3,5H2,1H3;;2*1H2
InChIKeyFJYHCNHAOCBVBX-UHFFFAOYSA-N
MW266.58 g/mol
LogP-2.64
Rot. Bonds3

About (2-aminoethylamino) acetate;cadmium;dihydrate

(2-aminoethylamino) acetate;cadmium;dihydrate (PubChem CID 174988758) has the molecular formula C4H14CdN2O4 and a molecular weight of 266.58 g/mol. Its IUPAC name is (2-aminoethylamino) acetate;cadmium;dihydrate.

Molecular Properties

Compound Name(2-aminoethylamino) acetate;cadmium;dihydrate
PubChem CID174988758
Molecular FormulaC4H14CdN2O4
Molecular Weight266.58 g/mol
Exact Mass268.00
IUPAC Name(2-aminoethylamino) acetate;cadmium;dihydrate
SMILESCC(=O)ONCCN.O.O.[Cd]
InChIInChI=1S/C4H10N2O2.Cd.2H2O/c1-4(7)8-6-3-2-5;;;/h6H,2-3,5H2,1H3;;2*1H2
InChIKeyFJYHCNHAOCBVBX-UHFFFAOYSA-N
XLogP-2.64
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.58
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-aminoethylamino) acetate;hydrochloride
CID 174583759
(2-aminoethylamino) acetate;chromium
CID 88783044
disodium;(2-aminoethylamino) acetate;hydride
CID 173366093
(2-aminoethylamino) N-aminocarbamate
CID 174871175
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
4-O-(2-aminoethylamino) 1-O-methyl (E)-but-2-enedioate
CID 130312327
2-(2-aminoethylamino)oxy-2-oxoacetic acid;silver
CID 87556707
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
bis(2-aminoethylamino) nonanedioate
CID 88731142
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
CID 160895097
CID 160895097

Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino) acetate;cadmium;dihydrate?
The IUPAC name of (2-aminoethylamino) acetate;cadmium;dihydrate (CID 174988758) is (2-aminoethylamino) acetate;cadmium;dihydrate.
What is the SMILES notation for (2-aminoethylamino) acetate;cadmium;dihydrate?
The canonical SMILES for (2-aminoethylamino) acetate;cadmium;dihydrate is CC(=O)ONCCN.O.O.[Cd].
What is the InChIKey of (2-aminoethylamino) acetate;cadmium;dihydrate?
The InChIKey is FJYHCNHAOCBVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.Cd.2H2O/c1-4(7)8-6-3-2-5;;;/h6H,2-3,5H2,1H3;;2*1H2.
What are the key properties of (2-aminoethylamino) acetate;cadmium;dihydrate?
(2-aminoethylamino) acetate;cadmium;dihydrate has a molecular weight of 266.58 g/mol, XLogP of -2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino) acetate;cadmium;dihydrate is sourced from PubChem (CID 174988758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).