methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate

C11H19NO3 — CID 115174490

IUPACmethyl 3-(2-cyclopentylethylamino)-3-oxopropanoate
SMILESCOC(=O)CC(=O)NCCC1CCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)8-10(13)12-7-6-9-4-2-3-5-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeySYMUYIOFMMDJEK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.25
Rot. Bonds5

About methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate

methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate (PubChem CID 115174490) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopentylethylamino)-3-oxopropanoate
PubChem CID115174490
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(2-cyclopentylethylamino)-3-oxopropanoate
SMILESCOC(=O)CC(=O)NCCC1CCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)8-10(13)12-7-6-9-4-2-3-5-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeySYMUYIOFMMDJEK-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate 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 2-(2-cyclopentylethylamino)acetate
CID 60919844
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
N-(2-cyclobutylethyl)-2-(cyclopropylmethylamino)acetamide
CID 115739981
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672
4-chloro-N-(2-cyclopentylethyl)butanamide
CID 63307990
N-(2-cyclobutylethyl)-2-methoxy-2-methylpropanamide
CID 103747323
N-(2-cyclobutylethyl)-2-propoxyacetamide
CID 103747320
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate?
The IUPAC name of methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate (CID 115174490) is methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate?
The canonical SMILES for methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate is COC(=O)CC(=O)NCCC1CCCC1.
What is the InChIKey of methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate?
The InChIKey is SYMUYIOFMMDJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(14)8-10(13)12-7-6-9-4-2-3-5-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate?
methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate has a molecular weight of 213.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate is sourced from PubChem (CID 115174490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).