methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride

C7H14ClNO2 — CID 170913420

IUPACmethyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride
SMILESCNC(C(=O)OC)C1CC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-6(5-3-4-5)7(9)10-2;/h5-6,8H,3-4H2,1-2H3;1H
InChIKeyZIOVJDKODBKKAI-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride

methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride (PubChem CID 170913420) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride
PubChem CID170913420
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride
SMILESCNC(C(=O)OC)C1CC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-6(5-3-4-5)7(9)10-2;/h5-6,8H,3-4H2,1-2H3;1H
InChIKeyZIOVJDKODBKKAI-UHFFFAOYSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride?
The IUPAC name of methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride (CID 170913420) is methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride.
What is the SMILES notation for methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride?
The canonical SMILES for methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride is CNC(C(=O)OC)C1CC1.Cl.
What is the InChIKey of methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride?
The InChIKey is ZIOVJDKODBKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-8-6(5-3-4-5)7(9)10-2;/h5-6,8H,3-4H2,1-2H3;1H.
What are the key properties of methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride?
methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(methylamino)acetate;hydrochloride is sourced from PubChem (CID 170913420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).