2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid

C13H15N5O3 — CID 119347669

IUPAC2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)Cn1cnnn1
InChIInChI=1S/C13H15N5O3/c19-12(8-18-10-14-15-16-18)17(9-13(20)21)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,20,21)
InChIKeyWDLAUUZTSODUPJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.17
Rot. Bonds7

About 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid

2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid (PubChem CID 119347669) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
PubChem CID119347669
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)Cn1cnnn1
InChIInChI=1S/C13H15N5O3/c19-12(8-18-10-14-15-16-18)17(9-13(20)21)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,20,21)
InChIKeyWDLAUUZTSODUPJ-UHFFFAOYSA-N
XLogP-0.17
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
CID 119347306
4-phenyl-1-(tetrazol-1-yl)butan-2-one
CID 25141638
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347603
3-[ethyl-[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 61007985
N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
2-(4-chloro-N-[2-(tetrazol-1-yl)acetyl]anilino)acetic acid
CID 60826492
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347312
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
CID 119347399
2-[2-methylbutanoyl(2-phenylethyl)amino]acetic acid
CID 119347264
N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 55587797

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid (CID 119347669) is 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)Cn1cnnn1.
What is the InChIKey of 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is WDLAUUZTSODUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-12(8-18-10-14-15-16-18)17(9-13(20)21)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,20,21).
What are the key properties of 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119347669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).