methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate

C14H27N3O2 — CID 63927657

IUPACmethyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
SMILESCOC(=O)C(N)(CN(C)CCN1CCCC1)C1CC1
InChIInChI=1S/C14H27N3O2/c1-16(9-10-17-7-3-4-8-17)11-14(15,12-5-6-12)13(18)19-2/h12H,3-11,15H2,1-2H3
InChIKeyYIFQJTUDKLUUJC-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.29
Rot. Bonds7

About methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate

methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate (PubChem CID 63927657) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
PubChem CID63927657
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
SMILESCOC(=O)C(N)(CN(C)CCN1CCCC1)C1CC1
InChIInChI=1S/C14H27N3O2/c1-16(9-10-17-7-3-4-8-17)11-14(15,12-5-6-12)13(18)19-2/h12H,3-11,15H2,1-2H3
InChIKeyYIFQJTUDKLUUJC-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63928058
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)propanoate
CID 65282048
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63925815
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate (CID 63927657) is methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate is COC(=O)C(N)(CN(C)CCN1CCCC1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
The InChIKey is YIFQJTUDKLUUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-16(9-10-17-7-3-4-8-17)11-14(15,12-5-6-12)13(18)19-2/h12H,3-11,15H2,1-2H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate has a molecular weight of 269.39 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate is sourced from PubChem (CID 63927657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).