2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid

C11H16N4O4 — CID 114120646

IUPAC2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCCOC1CC(NC(=O)c2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C11H16N4O4/c1-2-19-8-3-7(4-8)12-11(18)9-5-15(14-13-9)6-10(16)17/h5,7-8H,2-4,6H2,1H3,(H,12,18)(H,16,17)
InChIKeyOVZHANDTZZQONT-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.34
Rot. Bonds6

About 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 114120646) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID114120646
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCCOC1CC(NC(=O)c2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C11H16N4O4/c1-2-19-8-3-7(4-8)12-11(18)9-5-15(14-13-9)6-10(16)17/h5,7-8H,2-4,6H2,1H3,(H,12,18)(H,16,17)
InChIKeyOVZHANDTZZQONT-UHFFFAOYSA-N
XLogP-0.34
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290626
2-[4-(2-cyclohexyloxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288158
2-[4-(3-propoxypropylcarbamoyl)triazol-1-yl]acetic acid
CID 82944582
2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825
N-(3-ethoxycyclobutyl)-6-(methylamino)pyrazine-2-carboxamide
CID 114120777
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63573572
2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290810
2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290605
2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 114120662
2-[4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 106240403

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid (CID 114120646) is 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid is CCOC1CC(NC(=O)c2cn(CC(=O)O)nn2)C1.
What is the InChIKey of 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is OVZHANDTZZQONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-19-8-3-7(4-8)12-11(18)9-5-15(14-13-9)6-10(16)17/h5,7-8H,2-4,6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 114120646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).