2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid

C10H15N5O3 — CID 64618296

IUPAC2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCc2ncn[nH]2)C1
InChIInChI=1S/C10H15N5O3/c16-9(17)3-7-4-15(5-7)10(18)11-2-1-8-12-6-13-14-8/h6-7H,1-5H2,(H,11,18)(H,16,17)(H,12,13,14)
InChIKeyAARCNWSSRWISHR-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.54
Rot. Bonds5

About 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618296) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618296
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCc2ncn[nH]2)C1
InChIInChI=1S/C10H15N5O3/c16-9(17)3-7-4-15(5-7)10(18)11-2-1-8-12-6-13-14-8/h6-7H,1-5H2,(H,11,18)(H,16,17)(H,12,13,14)
InChIKeyAARCNWSSRWISHR-UHFFFAOYSA-N
XLogP-0.54
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
CID 79609464
1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64524307
2-[4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 64523130
2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64532137
2-[1-[2-(4-fluorophenyl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617413
4-hydroxy-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64524703
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
3-ethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64523324
2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-2-yl]acetic acid
CID 64532182
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 121498296

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid (CID 64618296) is 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)NCCc2ncn[nH]2)C1.
What is the InChIKey of 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is AARCNWSSRWISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c16-9(17)3-7-4-15(5-7)10(18)11-2-1-8-12-6-13-14-8/h6-7H,1-5H2,(H,11,18)(H,16,17)(H,12,13,14).
What are the key properties of 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).