methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate

C9H13N5O3 — CID 79317214

IUPACmethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C9H13N5O3/c1-17-8(15)4-11-9(16)7-5-14(13-12-7)6-2-10-3-6/h5-6,10H,2-4H2,1H3,(H,11,16)
InChIKeyHWWXGQGFARWANF-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.67
Rot. Bonds4

About methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate

methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate (PubChem CID 79317214) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
PubChem CID79317214
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Namemethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C9H13N5O3/c1-17-8(15)4-11-9(16)7-5-14(13-12-7)6-2-10-3-6/h5-6,10H,2-4H2,1H3,(H,11,16)
InChIKeyHWWXGQGFARWANF-UHFFFAOYSA-N
XLogP-1.67
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 79316716
1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
CID 79326027
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate (CID 79317214) is methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate?
The InChIKey is HWWXGQGFARWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-17-8(15)4-11-9(16)7-5-14(13-12-7)6-2-10-3-6/h5-6,10H,2-4H2,1H3,(H,11,16).
What are the key properties of methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate?
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate has a molecular weight of 239.23 g/mol, XLogP of -1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 79317214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).