methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate

C10H16N2O4 — CID 165451637

IUPACmethyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C1CNC1)C1CCOC1
InChIInChI=1S/C10H16N2O4/c1-15-10(14)9(13)12(8-4-11-5-8)7-2-3-16-6-7/h7-8,11H,2-6H2,1H3
InChIKeyUPNJSRZQMOKMBA-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.25
Rot. Bonds2

About methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate

methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate (PubChem CID 165451637) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate
PubChem CID165451637
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C1CNC1)C1CCOC1
InChIInChI=1S/C10H16N2O4/c1-15-10(14)9(13)12(8-4-11-5-8)7-2-3-16-6-7/h7-8,11H,2-6H2,1H3
InChIKeyUPNJSRZQMOKMBA-UHFFFAOYSA-N
XLogP-1.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
CID 165457622
N-methyl-N-(oxolan-3-yl)azetidin-3-amine
CID 66187761
N-(azetidin-3-yl)-2-methoxy-N-(oxetan-3-yl)acetamide
CID 165448834
N-(azetidin-3-yl)-2-(dimethylamino)-N-(oxetan-3-yl)acetamide
CID 165448311
N-[(4S)-4-methoxypyrrolidin-3-yl]oxolane-3-carboxamide
CID 61272635
N-methoxy-N-methyloxolan-3-amine
CID 142607541
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
CID 112616726
2-hydroxyimino-N,N-bis(oxolan-3-yl)acetamide
CID 175950638
1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
CID 67472879
N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide
CID 82740649
methyl N-[oxan-4-yl(propanoyl)amino]carbamate
CID 130401621

Frequently Asked Questions

What is the IUPAC name of methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate (CID 165451637) is methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate is COC(=O)C(=O)N(C1CNC1)C1CCOC1.
What is the InChIKey of methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate?
The InChIKey is UPNJSRZQMOKMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-15-10(14)9(13)12(8-4-11-5-8)7-2-3-16-6-7/h7-8,11H,2-6H2,1H3.
What are the key properties of methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate?
methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate has a molecular weight of 228.25 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate is sourced from PubChem (CID 165451637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).