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

C9H15N5O2 — CID 15719006

IUPAC(2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CCc2nn[nH]n2)CCN1
InChIInChI=1S/C9H15N5O2/c15-9(16)7-5-6(3-4-10-7)1-2-8-11-13-14-12-8/h6-7,10H,1-5H2,(H,15,16)(H,11,12,13,14)/t6-,7+/m0/s1
InChIKeyOGDQEHQWABDAOK-NKWVEPMBSA-N
MW225.25 g/mol
LogP-0.41
Rot. Bonds4

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

(2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid (PubChem CID 15719006) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid
PubChem CID15719006
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](CCc2nn[nH]n2)CCN1
InChIInChI=1S/C9H15N5O2/c15-9(16)7-5-6(3-4-10-7)1-2-8-11-13-14-12-8/h6-7,10H,1-5H2,(H,15,16)(H,11,12,13,14)/t6-,7+/m0/s1
InChIKeyOGDQEHQWABDAOK-NKWVEPMBSA-N
XLogP-0.41
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Tezampanel
CID 127894
LY 233053
CID 3035974
(3S,4aR,6S,8aR)-6-(2H-tetrazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 9837860
(3S,4aR,6S,8aR)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 10084218
Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid
CID 14877981
(2R,4R)-4-(2H-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid
CID 15928274
(6S)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 118718096
6-(2-(1H-Tetrazol-5-yl)ethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 9925665
(3S,4aR,6S,8aR)-6-[1-(2H-tetrazol-5-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 10565666
6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxylic acid
CID 19865460
(3S,4aR,6S,8aR)-6-[2-(2H-tetrazol-5-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 10613670
(2R,4S)-4-[3-(2H-tetrazol-5-yl)propyl]piperidine-2-carboxylic acid
CID 15719007

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid (CID 15719006) is (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](CCc2nn[nH]n2)CCN1.
What is the InChIKey of (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is OGDQEHQWABDAOK-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15N5O2/c15-9(16)7-5-6(3-4-10-7)1-2-8-11-13-14-12-8/h6-7,10H,1-5H2,(H,15,16)(H,11,12,13,14)/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid?
(2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 15719006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).