5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid

C8H13N5O3 — CID 129310162

IUPAC5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C8H13N5O3/c14-7(2-1-3-8(15)16)9-5-4-6-10-12-13-11-6/h1-5H2,(H,9,14)(H,15,16)(H,10,11,12,13)
InChIKeyWNLGTAZZHVCOHU-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.89
Rot. Bonds7

About 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid

5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid (PubChem CID 129310162) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
PubChem CID129310162
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C8H13N5O3/c14-7(2-1-3-8(15)16)9-5-4-6-10-12-13-11-6/h1-5H2,(H,9,14)(H,15,16)(H,10,11,12,13)
InChIKeyWNLGTAZZHVCOHU-UHFFFAOYSA-N
XLogP-0.89
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 156641933
CID 156641933
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N-[(Z)-12-(2H-tetrazol-5-yl)dodec-5-enyl]heptanamide
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2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
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3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid
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N-methylsulfonyl-16-(2H-tetrazol-5-yl)hexadecanamide
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CID 94693925

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid?
The IUPAC name of 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid (CID 129310162) is 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid is O=C(O)CCCC(=O)NCCc1nn[nH]n1.
What is the InChIKey of 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid?
The InChIKey is WNLGTAZZHVCOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c14-7(2-1-3-8(15)16)9-5-4-6-10-12-13-11-6/h1-5H2,(H,9,14)(H,15,16)(H,10,11,12,13).
What are the key properties of 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid?
5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 129310162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).