3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid

C12H13N5O3 — CID 121002207

IUPAC3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid
SMILESCC(=O)Nc1ccc(-c2nnn(CCC(=O)O)n2)cc1
InChIInChI=1S/C12H13N5O3/c1-8(18)13-10-4-2-9(3-5-10)12-14-16-17(15-12)7-6-11(19)20/h2-5H,6-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyWODONGGRFJBHOS-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.77
Rot. Bonds5

About 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid

3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid (PubChem CID 121002207) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid
PubChem CID121002207
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid
SMILESCC(=O)Nc1ccc(-c2nnn(CCC(=O)O)n2)cc1
InChIInChI=1S/C12H13N5O3/c1-8(18)13-10-4-2-9(3-5-10)12-14-16-17(15-12)7-6-11(19)20/h2-5H,6-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyWODONGGRFJBHOS-UHFFFAOYSA-N
XLogP0.77
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16609298
N-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 856050
2-[5-(2-Acetamidophenyl)tetrazol-2-yl]acetamide
CID 858278
3-[5-(3-Aminophenyl)tetrazol-2-yl]propanoic acid
CID 90673046
(Rs)-a-methyl-4-phosphonophenylglycine
CID 66766693
CID 73265299
CID 73265299
N-(4-methylphenyl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 2382877
2-((3-(1H-1,2,3,4-tetrazol-5-yl)phenyl)carbamoyl)acetic acid
CID 62231332
2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide
CID 1463689
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid
CID 135372574

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid (CID 121002207) is 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid is CC(=O)Nc1ccc(-c2nnn(CCC(=O)O)n2)cc1.
What is the InChIKey of 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid?
The InChIKey is WODONGGRFJBHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8(18)13-10-4-2-9(3-5-10)12-14-16-17(15-12)7-6-11(19)20/h2-5H,6-7H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid?
3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-acetamidophenyl)tetrazol-2-yl]propanoic acid is sourced from PubChem (CID 121002207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).