3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid

C9H9N5O2 — CID 82127415

IUPAC3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid
SMILESO=C(O)CC(c1ccccn1)c1nn[nH]n1
InChIInChI=1S/C9H9N5O2/c15-8(16)5-6(9-11-13-14-12-9)7-3-1-2-4-10-7/h1-4,6H,5H2,(H,15,16)(H,11,12,13,14)
InChIKeyIWCJRVYCAZQOMF-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.20
Rot. Bonds4

About 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid

3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid (PubChem CID 82127415) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid
PubChem CID82127415
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid
SMILESO=C(O)CC(c1ccccn1)c1nn[nH]n1
InChIInChI=1S/C9H9N5O2/c15-8(16)5-6(9-11-13-14-12-9)7-3-1-2-4-10-7/h1-4,6H,5H2,(H,15,16)(H,11,12,13,14)
InChIKeyIWCJRVYCAZQOMF-UHFFFAOYSA-N
XLogP0.20
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
pyridin-2-yl(2H-tetrazol-5-yl)methanamine
CID 55269695
3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82126582
3-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82129491
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-pyridin-2-ylbutanedioic acid
CID 67462885
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
3-(2H-tetrazol-5-yl)pentanoic acid
CID 68921158
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid?
The IUPAC name of 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid (CID 82127415) is 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid is O=C(O)CC(c1ccccn1)c1nn[nH]n1.
What is the InChIKey of 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid?
The InChIKey is IWCJRVYCAZQOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-8(16)5-6(9-11-13-14-12-9)7-3-1-2-4-10-7/h1-4,6H,5H2,(H,15,16)(H,11,12,13,14).
What are the key properties of 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid?
3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid has a molecular weight of 219.20 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid is sourced from PubChem (CID 82127415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).