ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate

C9H14N4O3 — CID 60817244

IUPACethyl 2-[3-(triazol-1-yl)propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)CCn1ccnn1
InChIInChI=1S/C9H14N4O3/c1-2-16-9(15)7-10-8(14)3-5-13-6-4-11-12-13/h4,6H,2-3,5,7H2,1H3,(H,10,14)
InChIKeyRGMUGZLJKLPWNI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.65
Rot. Bonds6

About ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate

ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate (PubChem CID 60817244) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(triazol-1-yl)propanoylamino]acetate
PubChem CID60817244
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Nameethyl 2-[3-(triazol-1-yl)propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)CCn1ccnn1
InChIInChI=1S/C9H14N4O3/c1-2-16-9(15)7-10-8(14)3-5-13-6-4-11-12-13/h4,6H,2-3,5,7H2,1H3,(H,10,14)
InChIKeyRGMUGZLJKLPWNI-UHFFFAOYSA-N
XLogP-0.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1H-1,2,3-triazol-1-yl)propyl]acetamide
CID 118795017
methyl N-[(2S)-1-oxo-1-[3-(triazol-1-yl)propylamino]propan-2-yl]carbamate
CID 124841608
Ethyl 2,2-difluoro-3-oxo-3-[2-(triazol-1-yl)ethylamino]propanoate
CID 112743123
2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
CID 156664526
2,2-dimethylpropane;2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
CID 159651574
N-methyl-2-[3-[3-(triazol-1-yl)propylamino]propoxy]acetamide
CID 169964113
N-methyl-2-[3-[3-(triazol-1-yl)propoxy]propylamino]acetamide
CID 169964114
N-methyl-2-[4-[2-(triazol-1-yl)ethoxy]butylamino]acetamide
CID 169964115
N-methyl-3-[2-[3-(triazol-1-yl)propoxy]ethylamino]propanamide
CID 169964116
N-methyl-3-[3-[2-(triazol-1-yl)ethoxy]propylamino]propanamide
CID 169964117
N-methyl-2-[2-[3-(triazol-1-yl)propoxy]ethylamino]acetamide
CID 169964121
N-methyl-2-[3-[2-(triazol-1-yl)ethoxy]propylamino]acetamide
CID 169964123

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate?
The IUPAC name of ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate (CID 60817244) is ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate?
The canonical SMILES for ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate is CCOC(=O)CNC(=O)CCn1ccnn1.
What is the InChIKey of ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate?
The InChIKey is RGMUGZLJKLPWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-16-9(15)7-10-8(14)3-5-13-6-4-11-12-13/h4,6H,2-3,5,7H2,1H3,(H,10,14).
What are the key properties of ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate?
ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate has a molecular weight of 226.24 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(triazol-1-yl)propanoylamino]acetate is sourced from PubChem (CID 60817244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).