butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate

C14H28N2O2 — CID 62991023

IUPACbutyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate
SMILESCCCCOC(=O)CNCC(C)CN1CCCC1
InChIInChI=1S/C14H28N2O2/c1-3-4-9-18-14(17)11-15-10-13(2)12-16-7-5-6-8-16/h13,15H,3-12H2,1-2H3
InChIKeyLKPDHUNDOSWALS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds9

About butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate

butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate (PubChem CID 62991023) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate
PubChem CID62991023
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namebutyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate
SMILESCCCCOC(=O)CNCC(C)CN1CCCC1
InChIInChI=1S/C14H28N2O2/c1-3-4-9-18-14(17)11-15-10-13(2)12-16-7-5-6-8-16/h13,15H,3-12H2,1-2H3
InChIKeyLKPDHUNDOSWALS-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
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-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
butyl 2-(2-methoxypropylamino)acetate
CID 102698141
octyl 2-(2-methylpropylamino)acetate
CID 63065599
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
butyl 2-(piperidin-1-ylamino)acetate
CID 83013770
1-[[3-(aziridin-1-yl)-2-methylpropyl]amino]propan-2-one
CID 146258346
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
CID 61243779
2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 79474135

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate?
The IUPAC name of butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate (CID 62991023) is butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate.
What is the SMILES notation for butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate?
The canonical SMILES for butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate is CCCCOC(=O)CNCC(C)CN1CCCC1.
What is the InChIKey of butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate?
The InChIKey is LKPDHUNDOSWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-9-18-14(17)11-15-10-13(2)12-16-7-5-6-8-16/h13,15H,3-12H2,1-2H3.
What are the key properties of butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate?
butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate is sourced from PubChem (CID 62991023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).