methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate

C12H22N2O2 — CID 117238066

IUPACmethyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(CNC1CC1)C1CCN(C)C1
InChIInChI=1S/C12H22N2O2/c1-14-6-5-9(8-14)11(12(15)16-2)7-13-10-3-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyOYIDGJQKJSYAKO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds5

About methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate

methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate (PubChem CID 117238066) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
PubChem CID117238066
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(CNC1CC1)C1CCN(C)C1
InChIInChI=1S/C12H22N2O2/c1-14-6-5-9(8-14)11(12(15)16-2)7-13-10-3-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyOYIDGJQKJSYAKO-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
CID 117245851
methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
methyl 3-(3-fluorophenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238363
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
methyl 3-amino-2-(1-methylazetidin-3-yl)propanoate
CID 83816379
methyl 2-[amino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116946118
methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
CID 117238072
methyl 2-[cyclopropyl(methyl)amino]-2-(1-methylpyrrolidin-3-yl)acetate
CID 116857447
methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
CID 116825136
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate?
The IUPAC name of methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate (CID 117238066) is methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate is COC(=O)C(CNC1CC1)C1CCN(C)C1.
What is the InChIKey of methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate?
The InChIKey is OYIDGJQKJSYAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14-6-5-9(8-14)11(12(15)16-2)7-13-10-3-4-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate?
methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate has a molecular weight of 226.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate is sourced from PubChem (CID 117238066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).