N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide

C10H17N3O3 — CID 106236627

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
SMILESCC(C(=O)NCCOCC(N)=O)=C1CNC1
InChIInChI=1S/C10H17N3O3/c1-7(8-4-12-5-8)10(15)13-2-3-16-6-9(11)14/h12H,2-6H2,1H3,(H2,11,14)(H,13,15)
InChIKeyNDNCSNADJROJFF-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.48
Rot. Bonds6

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide (PubChem CID 106236627) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
PubChem CID106236627
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
SMILESCC(C(=O)NCCOCC(N)=O)=C1CNC1
InChIInChI=1S/C10H17N3O3/c1-7(8-4-12-5-8)10(15)13-2-3-16-6-9(11)14/h12H,2-6H2,1H3,(H2,11,14)(H,13,15)
InChIKeyNDNCSNADJROJFF-UHFFFAOYSA-N
XLogP-1.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 116677558
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
2-(azetidin-3-ylidene)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 116678882
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide (CID 106236627) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide is CC(C(=O)NCCOCC(N)=O)=C1CNC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide?
The InChIKey is NDNCSNADJROJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(8-4-12-5-8)10(15)13-2-3-16-6-9(11)14/h12H,2-6H2,1H3,(H2,11,14)(H,13,15).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide has a molecular weight of 227.26 g/mol, XLogP of -1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide is sourced from PubChem (CID 106236627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).