oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate

C9H16N2O4 — CID 107437004

IUPACoxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESNC(=O)CNCC(=O)OC1CCOCC1
InChIInChI=1S/C9H16N2O4/c10-8(12)5-11-6-9(13)15-7-1-3-14-4-2-7/h7,11H,1-6H2,(H2,10,12)
InChIKeyWNCIMGRMUSZBOJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.22
Rot. Bonds5

About oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate

oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate (PubChem CID 107437004) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Nameoxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate
PubChem CID107437004
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameoxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESNC(=O)CNCC(=O)OC1CCOCC1
InChIInChI=1S/C9H16N2O4/c10-8(12)5-11-6-9(13)15-7-1-3-14-4-2-7/h7,11H,1-6H2,(H2,10,12)
InChIKeyWNCIMGRMUSZBOJ-UHFFFAOYSA-N
XLogP-1.22
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437046
oxan-4-yl 2-(4-hydroxyanilino)acetate
CID 61287147
CID 59303812
CID 59303812
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
oxan-4-yl 2-(4-aminophenyl)acetate
CID 61286946
oxan-4-yl 4-(propan-2-ylamino)butanoate
CID 61286955
oxan-4-yl 3-piperidin-2-ylpropanoate
CID 62217058
2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride
CID 23071196
cyclobutyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79257875
oxan-4-yl (2S)-2-(chloroamino)propanoate
CID 156835957
oxan-4-yl 4-amino-2-hydroxybutanoate
CID 107837590
cyclopropane;oxan-4-yl acetate
CID 69401848

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate?
The IUPAC name of oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate (CID 107437004) is oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate.
What is the SMILES notation for oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate?
The canonical SMILES for oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate is NC(=O)CNCC(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate?
The InChIKey is WNCIMGRMUSZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c10-8(12)5-11-6-9(13)15-7-1-3-14-4-2-7/h7,11H,1-6H2,(H2,10,12).
What are the key properties of oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate?
oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate has a molecular weight of 216.24 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate is sourced from PubChem (CID 107437004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).