methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride

C11H23ClN2O2 — CID 120899891

IUPACmethyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride
SMILESCCN(CC(=O)OC)CC1(C)CCNC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-13(7-10(14)15-3)9-11(2)5-6-12-8-11;/h12H,4-9H2,1-3H3;1H
InChIKeyIYFNMNDXAJMSSH-UHFFFAOYSA-N
MW250.77 g/mol
LogP0.90
Rot. Bonds5

About methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride

methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride (PubChem CID 120899891) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride
PubChem CID120899891
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Namemethyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride
SMILESCCN(CC(=O)OC)CC1(C)CCNC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-13(7-10(14)15-3)9-11(2)5-6-12-8-11;/h12H,4-9H2,1-3H3;1H
InChIKeyIYFNMNDXAJMSSH-UHFFFAOYSA-N
XLogP0.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride (CID 120899891) is methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride is CCN(CC(=O)OC)CC1(C)CCNC1.Cl.
What is the InChIKey of methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride?
The InChIKey is IYFNMNDXAJMSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-4-13(7-10(14)15-3)9-11(2)5-6-12-8-11;/h12H,4-9H2,1-3H3;1H.
What are the key properties of methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride?
methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride is sourced from PubChem (CID 120899891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).