2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid

C9H14N4O4 — CID 66290810

IUPAC2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
SMILESCOCC(C)NC(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C9H14N4O4/c1-6(5-17-2)10-9(16)7-3-13(12-11-7)4-8(14)15/h3,6H,4-5H2,1-2H3,(H,10,16)(H,14,15)
InChIKeyTUIUERLUIKGDQB-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.87
Rot. Bonds6

About 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid

2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid (PubChem CID 66290810) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
PubChem CID66290810
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
SMILESCOCC(C)NC(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C9H14N4O4/c1-6(5-17-2)10-9(16)7-3-13(12-11-7)4-8(14)15/h3,6H,4-5H2,1-2H3,(H,10,16)(H,14,15)
InChIKeyTUIUERLUIKGDQB-UHFFFAOYSA-N
XLogP-0.87
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]triazol-1-yl]acetic acid
CID 82949755
methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 113247997
1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide
CID 42359128
2-[4-(1-thiophen-2-ylpropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288982
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 66289994
2-[4-(octan-4-ylcarbamoyl)triazol-1-yl]acetic acid
CID 106021479
2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
2-[4-[(4-propan-2-ylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288941
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289591

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid (CID 66290810) is 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid is COCC(C)NC(=O)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid?
The InChIKey is TUIUERLUIKGDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-6(5-17-2)10-9(16)7-3-13(12-11-7)4-8(14)15/h3,6H,4-5H2,1-2H3,(H,10,16)(H,14,15).
What are the key properties of 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid?
2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid has a molecular weight of 242.23 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66290810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).