(1-but-3-enylcyclopentyl) 2-(methylamino)acetate

C12H21NO2 — CID 170207235

IUPAC(1-but-3-enylcyclopentyl) 2-(methylamino)acetate
SMILESC=CCCC1(OC(=O)CNC)CCCC1
InChIInChI=1S/C12H21NO2/c1-3-4-7-12(8-5-6-9-12)15-11(14)10-13-2/h3,13H,1,4-10H2,2H3
InChIKeyXMAQHBQUHNZLQS-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds6

About (1-but-3-enylcyclopentyl) 2-(methylamino)acetate

(1-but-3-enylcyclopentyl) 2-(methylamino)acetate (PubChem CID 170207235) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1-but-3-enylcyclopentyl) 2-(methylamino)acetate.

Molecular Properties

Compound Name(1-but-3-enylcyclopentyl) 2-(methylamino)acetate
PubChem CID170207235
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1-but-3-enylcyclopentyl) 2-(methylamino)acetate
SMILESC=CCCC1(OC(=O)CNC)CCCC1
InChIInChI=1S/C12H21NO2/c1-3-4-7-12(8-5-6-9-12)15-11(14)10-13-2/h3,13H,1,4-10H2,2H3
InChIKeyXMAQHBQUHNZLQS-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-propylcyclononyl) prop-2-enoate
CID 141276110
(1-but-3-enylcyclopentyl) 2-[methyl-(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)amino]acetate
CID 174113043
bis(1-pentylcyclohexyl) butanedioate
CID 174843513
N-methyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272994
(1-ethenylcyclopentyl) propanoate
CID 146487266
methyl 1-but-3-enylcyclopentane-1-carboxylate;methyl cyclopentanecarboxylate
CID 158701514
(1-pentylcyclohexyl) butanoate
CID 101311537
(1-ethenylcyclohexyl) propanoate
CID 21115640
methyl 2-(1-prop-2-enylcyclohexyl)acetate
CID 67656256
1,2-dimethoxyethane;methyl 2-(methylamino)acetate
CID 161160255
[(1R,5S)-5-but-3-enyl-1-bicyclo[3.1.0]hexanyl] 2-chloroacetate
CID 102124048
butan-2-yl 2-but-3-enyl-1-prop-2-enylpiperidine-2-carboxylate
CID 102136491

Frequently Asked Questions

What is the IUPAC name of (1-but-3-enylcyclopentyl) 2-(methylamino)acetate?
The IUPAC name of (1-but-3-enylcyclopentyl) 2-(methylamino)acetate (CID 170207235) is (1-but-3-enylcyclopentyl) 2-(methylamino)acetate.
What is the SMILES notation for (1-but-3-enylcyclopentyl) 2-(methylamino)acetate?
The canonical SMILES for (1-but-3-enylcyclopentyl) 2-(methylamino)acetate is C=CCCC1(OC(=O)CNC)CCCC1.
What is the InChIKey of (1-but-3-enylcyclopentyl) 2-(methylamino)acetate?
The InChIKey is XMAQHBQUHNZLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-7-12(8-5-6-9-12)15-11(14)10-13-2/h3,13H,1,4-10H2,2H3.
What are the key properties of (1-but-3-enylcyclopentyl) 2-(methylamino)acetate?
(1-but-3-enylcyclopentyl) 2-(methylamino)acetate has a molecular weight of 211.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-enylcyclopentyl) 2-(methylamino)acetate is sourced from PubChem (CID 170207235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).