2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid

C13H15N5O3 — CID 119218600

IUPAC2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)C(NC(=O)Cn1cnnn1)c1ccccc1
InChIInChI=1S/C13H15N5O3/c1-9(13(20)21)12(10-5-3-2-4-6-10)15-11(19)7-18-8-14-16-17-18/h2-6,8-9,12H,7H2,1H3,(H,15,19)(H,20,21)
InChIKeyICPSOLURRVLLIH-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.25
Rot. Bonds6

About 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid

2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 119218600) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
PubChem CID119218600
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)C(NC(=O)Cn1cnnn1)c1ccccc1
InChIInChI=1S/C13H15N5O3/c1-9(13(20)21)12(10-5-3-2-4-6-10)15-11(19)7-18-8-14-16-17-18/h2-6,8-9,12H,7H2,1H3,(H,15,19)(H,20,21)
InChIKeyICPSOLURRVLLIH-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 95639107
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2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
CID 24697179
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N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
CID 60548183
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736
N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
CID 52724876
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide
CID 142768946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid (CID 119218600) is 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid is CC(C(=O)O)C(NC(=O)Cn1cnnn1)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is ICPSOLURRVLLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9(13(20)21)12(10-5-3-2-4-6-10)15-11(19)7-18-8-14-16-17-18/h2-6,8-9,12H,7H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 289.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).