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

C17H24N2O2 — CID 115561548

IUPACmethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate
SMILESCOC(=O)C(N)(CN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-21-16(20)17(18,15-8-3-2-4-9-15)12-19-10-13-6-5-7-14(13)11-19/h2-4,8-9,13-14H,5-7,10-12,18H2,1H3
InChIKeyPGTSRQHEZAPHPZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.75
Rot. Bonds4

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

methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate (PubChem CID 115561548) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate
PubChem CID115561548
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namemethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate
SMILESCOC(=O)C(N)(CN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-21-16(20)17(18,15-8-3-2-4-9-15)12-19-10-13-6-5-7-14(13)11-19/h2-4,8-9,13-14H,5-7,10-12,18H2,1H3
InChIKeyPGTSRQHEZAPHPZ-UHFFFAOYSA-N
XLogP1.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate with MolForge

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Related Compounds

methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
methyl 2-amino-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylpropanoate
CID 64837609
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
CID 115561579
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
methyl 2-amino-4-(1,4-oxazepan-4-yl)-2-phenylbutanoate
CID 116693847
methyl 2-amino-4-(2,5-dioxopyrrolidin-1-yl)-2-phenylbutanoate
CID 116694039
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
CID 103501966

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate?
The IUPAC name of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate (CID 115561548) is methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate?
The canonical SMILES for methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate is COC(=O)C(N)(CN1CC2CCCC2C1)c1ccccc1.
What is the InChIKey of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate?
The InChIKey is PGTSRQHEZAPHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16(20)17(18,15-8-3-2-4-9-15)12-19-10-13-6-5-7-14(13)11-19/h2-4,8-9,13-14H,5-7,10-12,18H2,1H3.
What are the key properties of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate?
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate has a molecular weight of 288.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate is sourced from PubChem (CID 115561548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).