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

C11H16N2O2 — CID 66404148

IUPACmethyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)8-13-5-4-9(7-13)6-12-10-2-3-10/h4-5,7,10,12H,2-3,6,8H2,1H3
InChIKeyQPDAPQHLFPCVKX-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds5

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

methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate (PubChem CID 66404148) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
PubChem CID66404148
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)8-13-5-4-9(7-13)6-12-10-2-3-10/h4-5,7,10,12H,2-3,6,8H2,1H3
InChIKeyQPDAPQHLFPCVKX-UHFFFAOYSA-N
XLogP0.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404152
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
CID 79104073
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
methyl 2-[3-[cyclopropyl(methylamino)methyl]pyrrol-1-yl]acetate
CID 79103308

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate (CID 66404148) is methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate is COC(=O)Cn1ccc(CNC2CC2)c1.
What is the InChIKey of methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate?
The InChIKey is QPDAPQHLFPCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11(14)8-13-5-4-9(7-13)6-12-10-2-3-10/h4-5,7,10,12H,2-3,6,8H2,1H3.
What are the key properties of methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate?
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate has a molecular weight of 208.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate is sourced from PubChem (CID 66404148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).