methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate

C11H20N2O2 — CID 115559405

IUPACmethyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate
SMILESCOC(=O)C(CN)N1CC2CCCC2C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)10(5-12)13-6-8-3-2-4-9(8)7-13/h8-10H,2-7,12H2,1H3
InChIKeyOMEZVJIZYDYCEU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.22
Rot. Bonds3

About methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate

methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate (PubChem CID 115559405) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate.

Molecular Properties

Compound Namemethyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate
PubChem CID115559405
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate
SMILESCOC(=O)C(CN)N1CC2CCCC2C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)10(5-12)13-6-8-3-2-4-9(8)7-13/h8-10H,2-7,12H2,1H3
InChIKeyOMEZVJIZYDYCEU-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate 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 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylbutanoate
CID 115560448
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944
methyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-aminopropanoate
CID 102725778
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide
CID 115559262
methyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(propan-2-ylamino)butanoate
CID 115561460
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
methyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoate
CID 115722973
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
methyl 4-hydroxy-2-piperidin-1-ylbutanoate
CID 105453618
aminomethyl 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 135346409
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide
CID 130686441
methyl 2-(3-azabicyclo[3.3.1]nonan-3-yl)propanoate
CID 130479743

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate?
The IUPAC name of methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate (CID 115559405) is methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate.
What is the SMILES notation for methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate?
The canonical SMILES for methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate is COC(=O)C(CN)N1CC2CCCC2C1.
What is the InChIKey of methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate?
The InChIKey is OMEZVJIZYDYCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)10(5-12)13-6-8-3-2-4-9(8)7-13/h8-10H,2-7,12H2,1H3.
What are the key properties of methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate?
methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate has a molecular weight of 212.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopropanoate is sourced from PubChem (CID 115559405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).