(2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid

C10H17N5O2 — CID 15719007

IUPAC(2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CCCc2nn[nH]n2)CCN1
InChIInChI=1S/C10H17N5O2/c16-10(17)8-6-7(4-5-11-8)2-1-3-9-12-14-15-13-9/h7-8,11H,1-6H2,(H,16,17)(H,12,13,14,15)/t7-,8+/m0/s1
InChIKeyBCEIBMXHJLZKQD-JGVFFNPUSA-N
MW239.28 g/mol
LogP-0.02
Rot. Bonds5

About (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid

(2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid (PubChem CID 15719007) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid
PubChem CID15719007
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name(2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CCCc2nn[nH]n2)CCN1
InChIInChI=1S/C10H17N5O2/c16-10(17)8-6-7(4-5-11-8)2-1-3-9-12-14-15-13-9/h7-8,11H,1-6H2,(H,16,17)(H,12,13,14,15)/t7-,8+/m0/s1
InChIKeyBCEIBMXHJLZKQD-JGVFFNPUSA-N
XLogP-0.02
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid (CID 15719007) is (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](CCCc2nn[nH]n2)CCN1.
What is the InChIKey of (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid?
The InChIKey is BCEIBMXHJLZKQD-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17N5O2/c16-10(17)8-6-7(4-5-11-8)2-1-3-9-12-14-15-13-9/h7-8,11H,1-6H2,(H,16,17)(H,12,13,14,15)/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid?
(2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 15719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).