butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate

C11H22N2O2 — CID 103576801

IUPACbutyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CC(C)C(N)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-5-15-11(14)8-13-6-9(2)10(12)7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyWPGJSVJIRXUKHL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds5

About butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate

butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate (PubChem CID 103576801) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
PubChem CID103576801
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namebutyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CC(C)C(N)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-5-15-11(14)8-13-6-9(2)10(12)7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyWPGJSVJIRXUKHL-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetate
CID 81474724
butyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetate
CID 103936769
butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66392719
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
butyl 2-(3,3-difluoroazetidin-1-yl)acetate
CID 71244409
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
butyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 62922575
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
CID 62775211
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
CID 80702994

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate?
The IUPAC name of butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate (CID 103576801) is butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate?
The canonical SMILES for butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate is CCCCOC(=O)CN1CC(C)C(N)C1.
What is the InChIKey of butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate?
The InChIKey is WPGJSVJIRXUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-5-15-11(14)8-13-6-9(2)10(12)7-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate?
butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 103576801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).