methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate

C10H14N4O3S — CID 41306970

IUPACmethyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1nncn1C1CC1
InChIInChI=1S/C10H14N4O3S/c1-17-9(16)4-11-8(15)5-18-10-13-12-6-14(10)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,15)
InChIKeyRDROXSCALPJIAM-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.01
Rot. Bonds6

About methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate

methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate (PubChem CID 41306970) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate
PubChem CID41306970
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Namemethyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1nncn1C1CC1
InChIInChI=1S/C10H14N4O3S/c1-17-9(16)4-11-8(15)5-18-10-13-12-6-14(10)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,15)
InChIKeyRDROXSCALPJIAM-UHFFFAOYSA-N
XLogP-0.01
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate (CID 41306970) is methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate is COC(=O)CNC(=O)CSc1nncn1C1CC1.
What is the InChIKey of methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate?
The InChIKey is RDROXSCALPJIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-17-9(16)4-11-8(15)5-18-10-13-12-6-14(10)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,15).
What are the key properties of methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate?
methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate has a molecular weight of 270.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate is sourced from PubChem (CID 41306970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).