2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid

C10H11N5O2 — CID 75365740

IUPAC2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid
SMILESNC(Cc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C10H11N5O2/c11-8(10(16)17)6-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,16,17)
InChIKeySOQQQHKLLGFWAN-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.38
Rot. Bonds4

About 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid

2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid (PubChem CID 75365740) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid
PubChem CID75365740
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid
SMILESNC(Cc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C10H11N5O2/c11-8(10(16)17)6-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,16,17)
InChIKeySOQQQHKLLGFWAN-UHFFFAOYSA-N
XLogP-0.38
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
CID 63199473
5-[2-(chloromethyl)butyl]-1-phenyltetrazole
CID 66035227
1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
CID 18565987
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 62530476
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 43049377

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid (CID 75365740) is 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid is NC(Cc1nnnn1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid?
The InChIKey is SOQQQHKLLGFWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-8(10(16)17)6-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,16,17).
What are the key properties of 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid?
2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid has a molecular weight of 233.23 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 75365740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).