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

C12H13N5O3 — CID 62883661

IUPAC2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cnnn1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H13N5O3/c18-11(7-17-8-14-15-16-17)13-6-10(12(19)20)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,18)(H,19,20)
InChIKeyJRZCDVZSKGVVTR-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.34
Rot. Bonds6

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

2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 62883661) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
PubChem CID62883661
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cnnn1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H13N5O3/c18-11(7-17-8-14-15-16-17)13-6-10(12(19)20)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,18)(H,19,20)
InChIKeyJRZCDVZSKGVVTR-UHFFFAOYSA-N
XLogP-0.34
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 107473948
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
CID 96568608
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81065301
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515
N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 51105980

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid (CID 62883661) is 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid is O=C(Cn1cnnn1)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is JRZCDVZSKGVVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-11(7-17-8-14-15-16-17)13-6-10(12(19)20)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,18)(H,19,20).
What are the key properties of 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 62883661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).