1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid

C10H15N5O3 — CID 79311995

IUPAC1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCNC(=O)CN1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C10H15N5O3/c1-2-11-9(16)6-14-3-7(4-14)15-5-8(10(17)18)12-13-15/h5,7H,2-4,6H2,1H3,(H,11,16)(H,17,18)
InChIKeyAETJGEIWFGBTSE-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.03
Rot. Bonds5

About 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid

1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79311995) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79311995
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCNC(=O)CN1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C10H15N5O3/c1-2-11-9(16)6-14-3-7(4-14)15-5-8(10(17)18)12-13-15/h5,7H,2-4,6H2,1H3,(H,11,16)(H,17,18)
InChIKeyAETJGEIWFGBTSE-UHFFFAOYSA-N
XLogP-1.03
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309455
1-[1-[2-(methoxycarbonylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79310941
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-[1-(2-propoxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106454766
1-[1-[3-(ethylamino)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311071
1-[1-(3-ethylsulfonylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311135
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-(pentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309678
1-[1-(3-methylpentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106330658
1-[1-(2-propan-2-yloxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309451

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid (CID 79311995) is 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid is CCNC(=O)CN1CC(n2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is AETJGEIWFGBTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-2-11-9(16)6-14-3-7(4-14)15-5-8(10(17)18)12-13-15/h5,7H,2-4,6H2,1H3,(H,11,16)(H,17,18).
What are the key properties of 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79311995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).