ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate

C10H16N2O4 — CID 71785161

IUPACethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CN(C(C)=O)C1
InChIInChI=1S/C10H16N2O4/c1-3-16-9(14)4-11-10(15)8-5-12(6-8)7(2)13/h8H,3-6H2,1-2H3,(H,11,15)
InChIKeyUPHFWIOKGVCXED-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.86
Rot. Bonds4

About ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate

ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate (PubChem CID 71785161) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate
PubChem CID71785161
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CN(C(C)=O)C1
InChIInChI=1S/C10H16N2O4/c1-3-16-9(14)4-11-10(15)8-5-12(6-8)7(2)13/h8H,3-6H2,1-2H3,(H,11,15)
InChIKeyUPHFWIOKGVCXED-UHFFFAOYSA-N
XLogP-0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[N-methyl-3-(methylamino)propanamido]acetate hydrochloride
CID 155858457
Ethyl 2-(3-(dimethylamino)propanamido)acetate hydrochloride
CID 155858467
Methyl 2-(3-(dimethylamino)propanamido)acetate
CID 165888091
Ethyl 2-(1-(methylsulfonyl)azetidine-3-carboxamido)acetate
CID 71785462
tert-butyl (2S)-2-[3-(methylcarbamoyl)azetidin-1-yl]propanoate
CID 124258163
Ethyl 2-[3-(dimethylamino)propanamido]acetate
CID 137320698
ethyl 2-[N-methyl-3-(methylamino)propanamido]acetate
CID 155858458
1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide
CID 71785163
Ethyl 2-[[2-(3-aminopropanoylamino)acetyl]amino]acetate
CID 19609046
Ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate
CID 19753809
Ethyl 2-[(2-ethoxy-2-oxoethyl)-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 23544778
2-Methoxyethyl 2-(3-formamidopropanoylamino)acetate
CID 57278213

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate (CID 71785161) is ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CN(C(C)=O)C1.
What is the InChIKey of ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate?
The InChIKey is UPHFWIOKGVCXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-16-9(14)4-11-10(15)8-5-12(6-8)7(2)13/h8H,3-6H2,1-2H3,(H,11,15).
What are the key properties of ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate?
ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate has a molecular weight of 228.25 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-acetylazetidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 71785161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).