2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid

C8H13N3O3 — CID 162717486

IUPAC2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid
SMILESCCC(OCCc1cn[nH]n1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-7(8(12)13)14-4-3-6-5-9-11-10-6/h5,7H,2-4H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyUFTWCNUJDXQNIP-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.23
Rot. Bonds6

About 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid

2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid (PubChem CID 162717486) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid.

Molecular Properties

Compound Name2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid
PubChem CID162717486
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid
SMILESCCC(OCCc1cn[nH]n1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-7(8(12)13)14-4-3-6-5-9-11-10-6/h5,7H,2-4H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyUFTWCNUJDXQNIP-UHFFFAOYSA-N
XLogP0.23
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(6-bromo-2-pyridinyl)ethoxy]butanoic acid
CID 87536474
1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]butan-1-one
CID 175206336
2-[2-(benzylamino)ethoxy]butanoic acid
CID 82353059
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
4-(3,3-difluoropropyl)-2H-triazole
CID 57145392
(2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid
CID 162717478
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-(2H-triazol-4-yl)ethyl 3-pyridin-1-ium-1-ylpropanoate
CID 164942775
2-phenylmethoxybutanoic acid
CID 11816388
4-(2H-triazol-4-yl)butanamide
CID 90219359
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
methyl 2-[2-(2H-triazol-4-yl)ethylsulfanyl]acetate
CID 162717521

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid?
The IUPAC name of 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid (CID 162717486) is 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid.
What is the SMILES notation for 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid?
The canonical SMILES for 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid is CCC(OCCc1cn[nH]n1)C(=O)O.
What is the InChIKey of 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid?
The InChIKey is UFTWCNUJDXQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-7(8(12)13)14-4-3-6-5-9-11-10-6/h5,7H,2-4H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid?
2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2H-triazol-4-yl)ethoxy]butanoic acid is sourced from PubChem (CID 162717486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).