3-(2H-tetrazol-5-yl)pentanoic acid

C6H10N4O2 — CID 68921158

IUPAC3-(2H-tetrazol-5-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1nn[nH]n1
InChIInChI=1S/C6H10N4O2/c1-2-4(3-5(11)12)6-7-9-10-8-6/h4H,2-3H2,1H3,(H,11,12)(H,7,8,9,10)
InChIKeyKIHVQSHFVJZLQV-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.17
Rot. Bonds4

About 3-(2H-tetrazol-5-yl)pentanoic acid

3-(2H-tetrazol-5-yl)pentanoic acid (PubChem CID 68921158) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)pentanoic acid
PubChem CID68921158
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-(2H-tetrazol-5-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1nn[nH]n1
InChIInChI=1S/C6H10N4O2/c1-2-4(3-5(11)12)6-7-9-10-8-6/h4H,2-3H2,1H3,(H,11,12)(H,7,8,9,10)
InChIKeyKIHVQSHFVJZLQV-UHFFFAOYSA-N
XLogP0.17
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
3-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82129491
3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82126582
3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127415
2-bromo-2-(2H-tetrazol-5-yl)acetic acid
CID 19377646
2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123691063
[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid
CID 19938437
1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
CID 77200970
3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid
CID 167810430
(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 63717941
3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 89112864
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)pentanoic acid?
The IUPAC name of 3-(2H-tetrazol-5-yl)pentanoic acid (CID 68921158) is 3-(2H-tetrazol-5-yl)pentanoic acid.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)pentanoic acid?
The canonical SMILES for 3-(2H-tetrazol-5-yl)pentanoic acid is CCC(CC(=O)O)c1nn[nH]n1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)pentanoic acid?
The InChIKey is KIHVQSHFVJZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-4(3-5(11)12)6-7-9-10-8-6/h4H,2-3H2,1H3,(H,11,12)(H,7,8,9,10).
What are the key properties of 3-(2H-tetrazol-5-yl)pentanoic acid?
3-(2H-tetrazol-5-yl)pentanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)pentanoic acid is sourced from PubChem (CID 68921158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).