(2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid

C8H13N5O2 — CID 3035974

IUPAC(2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](Cc2nn[nH]n2)CCN1
InChIInChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)/t5-,6+/m0/s1
InChIKeyFAAVTENFCLADRE-NTSWFWBYSA-N
MW211.22 g/mol
LogP-0.81
Rot. Bonds3

About (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid

(2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 3035974) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
PubChem CID3035974
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name(2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](Cc2nn[nH]n2)CCN1
InChIInChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)/t5-,6+/m0/s1
InChIKeyFAAVTENFCLADRE-NTSWFWBYSA-N
XLogP-0.81
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid (CID 3035974) is (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](Cc2nn[nH]n2)CCN1.
What is the InChIKey of (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is FAAVTENFCLADRE-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid?
(2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 3035974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).