methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride

C7H17ClN2O2 — CID 138059580

IUPACmethyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(N)CC(C)C.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-6(2)4-9(8)5-7(10)11-3;/h6H,4-5,8H2,1-3H3;1H
InChIKeyUSARLSSYIQNYFI-UHFFFAOYSA-N
MW196.68 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride

methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride (PubChem CID 138059580) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride
PubChem CID138059580
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC Namemethyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(N)CC(C)C.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-6(2)4-9(8)5-7(10)11-3;/h6H,4-5,8H2,1-3H3;1H
InChIKeyUSARLSSYIQNYFI-UHFFFAOYSA-N
XLogP0.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[amino(propyl)amino]acetate
CID 123689793
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
methyl 2-[amino(cyanomethyl)amino]acetate
CID 129156332
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
CID 62026454
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate
CID 61074091
methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 115873294
N'-acetyl-2-[amino(2-methylpropyl)amino]-N-(2-methylpropyl)acetohydrazide;ethane;molecular hydrogen
CID 142215990
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731

Frequently Asked Questions

What is the IUPAC name of methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride (CID 138059580) is methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride is COC(=O)CN(N)CC(C)C.Cl.
What is the InChIKey of methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride?
The InChIKey is USARLSSYIQNYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-6(2)4-9(8)5-7(10)11-3;/h6H,4-5,8H2,1-3H3;1H.
What are the key properties of methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride?
methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride is sourced from PubChem (CID 138059580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).