methyl 2-(2-aminoethylamino)acetate;dihydrochloride

C5H14Cl2N2O2 — CID 22364296

IUPACmethyl 2-(2-aminoethylamino)acetate;dihydrochloride
SMILESCOC(=O)CNCCN.Cl.Cl
InChIInChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4-7-3-2-6;;/h7H,2-4,6H2,1H3;2*1H
InChIKeyPJGOZNKMFPTTNC-UHFFFAOYSA-N
MW205.08 g/mol
LogP-0.45
Rot. Bonds4

About methyl 2-(2-aminoethylamino)acetate;dihydrochloride

methyl 2-(2-aminoethylamino)acetate;dihydrochloride (PubChem CID 22364296) has the molecular formula C5H14Cl2N2O2 and a molecular weight of 205.08 g/mol. Its IUPAC name is methyl 2-(2-aminoethylamino)acetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-aminoethylamino)acetate;dihydrochloride
PubChem CID22364296
Molecular FormulaC5H14Cl2N2O2
Molecular Weight205.08 g/mol
Exact Mass204.04
IUPAC Namemethyl 2-(2-aminoethylamino)acetate;dihydrochloride
SMILESCOC(=O)CNCCN.Cl.Cl
InChIInChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4-7-3-2-6;;/h7H,2-4,6H2,1H3;2*1H
InChIKeyPJGOZNKMFPTTNC-UHFFFAOYSA-N
XLogP-0.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 74889816
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
methyl 2-[3-(dimethylamino)propylamino]acetate
CID 28583744
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
1-(2-aminoethylamino)butane-2,3-dione
CID 57071284
methyl 2-[(3-hydroxy-3-methylbutyl)amino]acetate
CID 79360422
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethylamino)acetate;dihydrochloride?
The IUPAC name of methyl 2-(2-aminoethylamino)acetate;dihydrochloride (CID 22364296) is methyl 2-(2-aminoethylamino)acetate;dihydrochloride.
What is the SMILES notation for methyl 2-(2-aminoethylamino)acetate;dihydrochloride?
The canonical SMILES for methyl 2-(2-aminoethylamino)acetate;dihydrochloride is COC(=O)CNCCN.Cl.Cl.
What is the InChIKey of methyl 2-(2-aminoethylamino)acetate;dihydrochloride?
The InChIKey is PJGOZNKMFPTTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4-7-3-2-6;;/h7H,2-4,6H2,1H3;2*1H.
What are the key properties of methyl 2-(2-aminoethylamino)acetate;dihydrochloride?
methyl 2-(2-aminoethylamino)acetate;dihydrochloride has a molecular weight of 205.08 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethylamino)acetate;dihydrochloride is sourced from PubChem (CID 22364296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).