1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid

C13H19N5O3 — CID 81176615

IUPAC1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESNCC1(CC(=O)N2CC(n3cc(C(=O)O)nn3)C2)CCC1
InChIInChI=1S/C13H19N5O3/c14-8-13(2-1-3-13)4-11(19)17-5-9(6-17)18-7-10(12(20)21)15-16-18/h7,9H,1-6,8,14H2,(H,20,21)
InChIKeyBTECAMCMBMLDOK-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.12
Rot. Bonds5

About 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid

1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 81176615) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID81176615
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESNCC1(CC(=O)N2CC(n3cc(C(=O)O)nn3)C2)CCC1
InChIInChI=1S/C13H19N5O3/c14-8-13(2-1-3-13)4-11(19)17-5-9(6-17)18-7-10(12(20)21)15-16-18/h7,9H,1-6,8,14H2,(H,20,21)
InChIKeyBTECAMCMBMLDOK-UHFFFAOYSA-N
XLogP-0.12
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311906
1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312328
1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
1-[1-[3-(ethylamino)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311071
1-[1-[2-(prop-2-ynylamino)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79312145
1-(1-heptanoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309145
1-[1-(3-aminopropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309694
1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311767
1-[1-(3,4,4-trimethylpentanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311252
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-[3-(1,2,4-triazol-1-yl)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309123
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid (CID 81176615) is 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid is NCC1(CC(=O)N2CC(n3cc(C(=O)O)nn3)C2)CCC1.
What is the InChIKey of 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is BTECAMCMBMLDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-8-13(2-1-3-13)4-11(19)17-5-9(6-17)18-7-10(12(20)21)15-16-18/h7,9H,1-6,8,14H2,(H,20,21).
What are the key properties of 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 81176615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).