methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate

C12H21NO2 — CID 103266901

IUPACmethyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate
SMILESCOC(=O)C(C)=CCNC1CCC(C)C1
InChIInChI=1S/C12H21NO2/c1-9-4-5-11(8-9)13-7-6-10(2)12(14)15-3/h6,9,11,13H,4-5,7-8H2,1-3H3
InChIKeyZASYVLCDJTYADA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate

methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate (PubChem CID 103266901) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate
PubChem CID103266901
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate
SMILESCOC(=O)C(C)=CCNC1CCC(C)C1
InChIInChI=1S/C12H21NO2/c1-9-4-5-11(8-9)13-7-6-10(2)12(14)15-3/h6,9,11,13H,4-5,7-8H2,1-3H3
InChIKeyZASYVLCDJTYADA-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate 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-methyl-4-(4-methylcyclohexyl)oxybut-2-enoate
CID 77074648
methyl 4-(3,5-dimethylpiperidin-1-yl)-2-methylbut-2-enoate
CID 77074603
methyl 4-[[(1R)-1-cyclopentylethyl]amino]-2-methylbut-2-enoate
CID 103260025
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2-methylbut-2-enoate
CID 103248895
3-methyl-N-(3-methylcyclopentyl)but-2-enamide
CID 130171283
2-[(3-methylcyclopentyl)amino]-N-prop-2-enylacetamide
CID 115919847
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl (2E)-4-[[(4-hydroxycyclohexyl)amino]methyl]-2-methylpenta-2,4-dienoate
CID 122649793
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
methyl 4-(tert-butylamino)-2-methylbut-2-enoate
CID 103728179
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate
CID 106670121

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate?
The IUPAC name of methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate (CID 103266901) is methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate is COC(=O)C(C)=CCNC1CCC(C)C1.
What is the InChIKey of methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate?
The InChIKey is ZASYVLCDJTYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-4-5-11(8-9)13-7-6-10(2)12(14)15-3/h6,9,11,13H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate?
methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate has a molecular weight of 211.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(3-methylcyclopentyl)amino]but-2-enoate is sourced from PubChem (CID 103266901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).