3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid

C13H15N5O3 — CID 119221158

IUPAC3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H15N5O3/c1-9(7-12(20)21)14-11(19)8-18-16-13(15-17-18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,19)(H,20,21)
InChIKeyKOLCABWGHXKWQI-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.32
Rot. Bonds6

About 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid

3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid (PubChem CID 119221158) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
PubChem CID119221158
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H15N5O3/c1-9(7-12(20)21)14-11(19)8-18-16-13(15-17-18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,19)(H,20,21)
InChIKeyKOLCABWGHXKWQI-UHFFFAOYSA-N
XLogP0.32
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634209
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 120651901
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
N-[1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4810008
N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7335558
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid (CID 119221158) is 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
The InChIKey is KOLCABWGHXKWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9(7-12(20)21)14-11(19)8-18-16-13(15-17-18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,19)(H,20,21).
What are the key properties of 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid?
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid has a molecular weight of 289.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119221158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).