methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate

C12H18N2O2 — CID 66401619

IUPACmethyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
SMILESCOC(=O)CCn1cccc1CNC1CC1
InChIInChI=1S/C12H18N2O2/c1-16-12(15)6-8-14-7-2-3-11(14)9-13-10-4-5-10/h2-3,7,10,13H,4-6,8-9H2,1H3
InChIKeyUVFRRWZDAPIYCM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.30
Rot. Bonds6

About methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate

methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate (PubChem CID 66401619) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
PubChem CID66401619
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
SMILESCOC(=O)CCn1cccc1CNC1CC1
InChIInChI=1S/C12H18N2O2/c1-16-12(15)6-8-14-7-2-3-11(14)9-13-10-4-5-10/h2-3,7,10,13H,4-6,8-9H2,1H3
InChIKeyUVFRRWZDAPIYCM-UHFFFAOYSA-N
XLogP1.30
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate?
The IUPAC name of methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate (CID 66401619) is methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate is COC(=O)CCn1cccc1CNC1CC1.
What is the InChIKey of methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate?
The InChIKey is UVFRRWZDAPIYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12(15)6-8-14-7-2-3-11(14)9-13-10-4-5-10/h2-3,7,10,13H,4-6,8-9H2,1H3.
What are the key properties of methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate?
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate has a molecular weight of 222.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate is sourced from PubChem (CID 66401619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).