2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid

C15H17N5O3 — CID 119218102

IUPAC2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCC1
InChIInChI=1S/C15H17N5O3/c21-13(17-15(6-1-7-15)9-14(22)23)8-11-2-4-12(5-3-11)20-10-16-18-19-20/h2-5,10H,1,6-9H2,(H,17,21)(H,22,23)
InChIKeyOWSWSWIAEQYDTK-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.72
Rot. Bonds6

About 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119218102) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid
PubChem CID119218102
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCC1
InChIInChI=1S/C15H17N5O3/c21-13(17-15(6-1-7-15)9-14(22)23)8-11-2-4-12(5-3-11)20-10-16-18-19-20/h2-5,10H,1,6-9H2,(H,17,21)(H,22,23)
InChIKeyOWSWSWIAEQYDTK-UHFFFAOYSA-N
XLogP0.72
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133138790
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 91954353
2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid
CID 120521992
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 26728537
N-[(2-phenylcyclopropyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71931856
2-[1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217147

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid (CID 119218102) is 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCC1.
What is the InChIKey of 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is OWSWSWIAEQYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-13(17-15(6-1-7-15)9-14(22)23)8-11-2-4-12(5-3-11)20-10-16-18-19-20/h2-5,10H,1,6-9H2,(H,17,21)(H,22,23).
What are the key properties of 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).