(2S)-2-(tetrazol-1-yl)propanoic acid

C4H6N4O2 — CID 39732345

IUPAC(2S)-2-(tetrazol-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1cnnn1
InChIInChI=1S/C4H6N4O2/c1-3(4(9)10)8-2-5-6-7-8/h2-3H,1H3,(H,9,10)/t3-/m0/s1
InChIKeyZFQPVPQCMQGGHT-VKHMYHEASA-N
MW142.12 g/mol
LogP-0.68
Rot. Bonds2

About (2S)-2-(tetrazol-1-yl)propanoic acid

(2S)-2-(tetrazol-1-yl)propanoic acid (PubChem CID 39732345) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (2S)-2-(tetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(tetrazol-1-yl)propanoic acid
PubChem CID39732345
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(2S)-2-(tetrazol-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1cnnn1
InChIInChI=1S/C4H6N4O2/c1-3(4(9)10)8-2-5-6-7-8/h2-3H,1H3,(H,9,10)/t3-/m0/s1
InChIKeyZFQPVPQCMQGGHT-VKHMYHEASA-N
XLogP-0.68
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tetrazol-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(tetrazol-1-yl)propanoic acid (CID 39732345) is (2S)-2-(tetrazol-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(tetrazol-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(tetrazol-1-yl)propanoic acid is C[C@@H](C(=O)O)n1cnnn1.
What is the InChIKey of (2S)-2-(tetrazol-1-yl)propanoic acid?
The InChIKey is ZFQPVPQCMQGGHT-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6N4O2/c1-3(4(9)10)8-2-5-6-7-8/h2-3H,1H3,(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-2-(tetrazol-1-yl)propanoic acid?
(2S)-2-(tetrazol-1-yl)propanoic acid has a molecular weight of 142.12 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tetrazol-1-yl)propanoic acid is sourced from PubChem (CID 39732345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).