butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate

C13H24N2O2 — CID 54967882

IUPACbutyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate
SMILESCCCCOC(=O)CNC1CCN2CCCC12
InChIInChI=1S/C13H24N2O2/c1-2-3-9-17-13(16)10-14-11-6-8-15-7-4-5-12(11)15/h11-12,14H,2-10H2,1H3
InChIKeyRHZCNHBUTKUHRC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds6

About butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate

butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate (PubChem CID 54967882) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate
PubChem CID54967882
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namebutyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate
SMILESCCCCOC(=O)CNC1CCN2CCCC12
InChIInChI=1S/C13H24N2O2/c1-2-3-9-17-13(16)10-14-11-6-8-15-7-4-5-12(11)15/h11-12,14H,2-10H2,1H3
InChIKeyRHZCNHBUTKUHRC-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
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-(cyclooctylamino)acetate
CID 54917785
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate
CID 60971011
N-butyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propanamide
CID 54967296
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
CID 54928683
butyl 2-(piperidin-1-ylamino)acetate
CID 83013770
butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 60680631
butyl 2-[(4-propylcyclohexyl)amino]acetate
CID 54962947
2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide
CID 62855383
butyl 2-[(1,1-dioxothian-3-yl)amino]acetate
CID 63923737
ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
CID 43792537
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide
CID 79282045
2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate?
The IUPAC name of butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate (CID 54967882) is butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate.
What is the SMILES notation for butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate?
The canonical SMILES for butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate is CCCCOC(=O)CNC1CCN2CCCC12.
What is the InChIKey of butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate?
The InChIKey is RHZCNHBUTKUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-9-17-13(16)10-14-11-6-8-15-7-4-5-12(11)15/h11-12,14H,2-10H2,1H3.
What are the key properties of butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate?
butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate has a molecular weight of 240.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate is sourced from PubChem (CID 54967882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).