2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid

C11H16N4O4 — CID 114120662

IUPAC2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid
SMILESCOC1(CNC(=O)c2cn(CC(=O)O)nn2)CCC1
InChIInChI=1S/C11H16N4O4/c1-19-11(3-2-4-11)7-12-10(18)8-5-15(14-13-8)6-9(16)17/h5H,2-4,6-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyOGRCACPDJJGDHS-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.34
Rot. Bonds6

About 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid

2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid (PubChem CID 114120662) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid
PubChem CID114120662
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid
SMILESCOC1(CNC(=O)c2cn(CC(=O)O)nn2)CCC1
InChIInChI=1S/C11H16N4O4/c1-19-11(3-2-4-11)7-12-10(18)8-5-15(14-13-8)6-9(16)17/h5H,2-4,6-7H2,1H3,(H,12,18)(H,16,17)
InChIKeyOGRCACPDJJGDHS-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-[(3-methoxyoxolan-3-yl)methylcarbamoyl]triazol-1-yl]acetic acid
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2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
2-[4-[(6-methoxy-3-pyridinyl)methylcarbamoyl]triazol-1-yl]acetic acid
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2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825
2-[4-(2-cyclohexyloxyethylcarbamoyl)triazol-1-yl]acetic acid
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2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290810
2-[4-(3-propoxypropylcarbamoyl)triazol-1-yl]acetic acid
CID 82944582
2-[4-(1H-pyrazol-4-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66289594
2-[4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 106240403
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288972

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid (CID 114120662) is 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid is COC1(CNC(=O)c2cn(CC(=O)O)nn2)CCC1.
What is the InChIKey of 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid?
The InChIKey is OGRCACPDJJGDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-19-11(3-2-4-11)7-12-10(18)8-5-15(14-13-8)6-9(16)17/h5H,2-4,6-7H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid?
2-[4-[(1-methoxycyclobutyl)methylcarbamoyl]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-[(1-methoxycyclobutyl)methylcarbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 114120662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).