2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid

C11H13N5O2 — CID 43467064

IUPAC2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
SMILESCC(NCc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C11H13N5O2/c1-8(11(17)18)12-7-10-13-14-15-16(10)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,17,18)
InChIKeyXTZKLBBEULQWAB-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.22
Rot. Bonds5

About 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid

2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid (PubChem CID 43467064) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
PubChem CID43467064
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
SMILESCC(NCc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C11H13N5O2/c1-8(11(17)18)12-7-10-13-14-15-16(10)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,17,18)
InChIKeyXTZKLBBEULQWAB-UHFFFAOYSA-N
XLogP0.22
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid
CID 75365740
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
CID 66527838
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 107852716
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid (CID 43467064) is 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid is CC(NCc1nnnn1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid?
The InChIKey is XTZKLBBEULQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8(11(17)18)12-7-10-13-14-15-16(10)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,17,18).
What are the key properties of 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid?
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid has a molecular weight of 247.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 43467064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).