2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate

C9H17N3O4 — CID 102656535

IUPAC2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
SMILESCC1(OCC(=O)NCCOC(N)=O)CNC1
InChIInChI=1S/C9H17N3O4/c1-9(5-11-6-9)16-4-7(13)12-2-3-15-8(10)14/h11H,2-6H2,1H3,(H2,10,14)(H,12,13)
InChIKeyPPYNGQSISSVINQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.42
Rot. Bonds6

About 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate

2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate (PubChem CID 102656535) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
PubChem CID102656535
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
SMILESCC1(OCC(=O)NCCOC(N)=O)CNC1
InChIInChI=1S/C9H17N3O4/c1-9(5-11-6-9)16-4-7(13)12-2-3-15-8(10)14/h11H,2-6H2,1H3,(H2,10,14)(H,12,13)
InChIKeyPPYNGQSISSVINQ-UHFFFAOYSA-N
XLogP-1.42
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114183708
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734
N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
CID 102611576
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
2-(3-methylazetidin-3-yl)oxy-N-[(2-methylcyclopropyl)methyl]acetamide
CID 102611285
N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611730
2-(3-methylazetidin-3-yl)oxy-N-[(4-methylcyclohexyl)methyl]acetamide
CID 102656184

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate (CID 102656535) is 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate is CC1(OCC(=O)NCCOC(N)=O)CNC1.
What is the InChIKey of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate?
The InChIKey is PPYNGQSISSVINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-9(5-11-6-9)16-4-7(13)12-2-3-15-8(10)14/h11H,2-6H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate?
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate has a molecular weight of 231.25 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate is sourced from PubChem (CID 102656535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).