2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid

C14H16N4O4 — CID 167773775

IUPAC2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid
SMILESCC(C)Oc1ccccc1C(=O)Nc1ncn(CC(=O)O)n1
InChIInChI=1S/C14H16N4O4/c1-9(2)22-11-6-4-3-5-10(11)13(21)16-14-15-8-18(17-14)7-12(19)20/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H,16,17,21)
InChIKeyCOPZLGXGRFHZOI-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.40
Rot. Bonds6

About 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid

2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid (PubChem CID 167773775) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid
PubChem CID167773775
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid
SMILESCC(C)Oc1ccccc1C(=O)Nc1ncn(CC(=O)O)n1
InChIInChI=1S/C14H16N4O4/c1-9(2)22-11-6-4-3-5-10(11)13(21)16-14-15-8-18(17-14)7-12(19)20/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H,16,17,21)
InChIKeyCOPZLGXGRFHZOI-UHFFFAOYSA-N
XLogP1.40
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
N-(4-methylpyrimidin-5-yl)-2-propan-2-yloxybenzamide
CID 167770300
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid (CID 167773775) is 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid is CC(C)Oc1ccccc1C(=O)Nc1ncn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is COPZLGXGRFHZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9(2)22-11-6-4-3-5-10(11)13(21)16-14-15-8-18(17-14)7-12(19)20/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H,16,17,21).
What are the key properties of 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid?
2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 304.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 167773775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).