2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate

C9H17N3O3 — CID 116678814

IUPAC2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
SMILESCC(C(=O)NCCOC(N)=O)C1CNC1
InChIInChI=1S/C9H17N3O3/c1-6(7-4-11-5-7)8(13)12-2-3-15-9(10)14/h6-7,11H,2-5H2,1H3,(H2,10,14)(H,12,13)
InChIKeyCPRCJERQINTBQL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.95
Rot. Bonds5

About 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate

2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate (PubChem CID 116678814) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
PubChem CID116678814
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
SMILESCC(C(=O)NCCOC(N)=O)C1CNC1
InChIInChI=1S/C9H17N3O3/c1-6(7-4-11-5-7)8(13)12-2-3-15-9(10)14/h6-7,11H,2-5H2,1H3,(H2,10,14)(H,12,13)
InChIKeyCPRCJERQINTBQL-UHFFFAOYSA-N
XLogP-0.95
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate?
The IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate (CID 116678814) is 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate.
What is the SMILES notation for 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate?
The canonical SMILES for 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate is CC(C(=O)NCCOC(N)=O)C1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate?
The InChIKey is CPRCJERQINTBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(7-4-11-5-7)8(13)12-2-3-15-9(10)14/h6-7,11H,2-5H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate?
2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate has a molecular weight of 215.25 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate is sourced from PubChem (CID 116678814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).