methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate

C13H21NO3 — CID 54943043

IUPACmethyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CC1C=CCC1
InChIInChI=1S/C13H21NO3/c1-14(9-5-8-13(16)17-2)12(15)10-11-6-3-4-7-11/h3,6,11H,4-5,7-10H2,1-2H3
InChIKeyFGVFHRHSSQWBCR-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.75
Rot. Bonds6

About methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate

methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate (PubChem CID 54943043) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate
PubChem CID54943043
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CC1C=CCC1
InChIInChI=1S/C13H21NO3/c1-14(9-5-8-13(16)17-2)12(15)10-11-6-3-4-7-11/h3,6,11H,4-5,7-10H2,1-2H3
InChIKeyFGVFHRHSSQWBCR-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate
CID 43407690
2-cyclopent-2-en-1-yl-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833481
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
2-[(1R)-cyclopent-2-en-1-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51925470
3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
CID 61007987
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
methyl 4-[(2-tert-butylsulfanylacetyl)-methylamino]butanoate
CID 54943106
methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate
CID 54942474
methyl 4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]-methylamino]butanoate
CID 60714276
2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61040291

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate (CID 54943043) is methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate is COC(=O)CCCN(C)C(=O)CC1C=CCC1.
What is the InChIKey of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate?
The InChIKey is FGVFHRHSSQWBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(9-5-8-13(16)17-2)12(15)10-11-6-3-4-7-11/h3,6,11H,4-5,7-10H2,1-2H3.
What are the key properties of methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate?
methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate has a molecular weight of 239.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]butanoate is sourced from PubChem (CID 54943043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).