(2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid

C11H14N6O4 — CID 141283067

IUPAC(2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
SMILESCn1nnnc1[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1C(=O)O
InChIInChI=1S/C11H14N6O4/c1-16-10(12-14-15-16)7-4-6(2-3-17(7)11(19)20)8-5-9(18)13-21-8/h5-7H,2-4H2,1H3,(H,13,18)(H,19,20)/t6-,7+/m0/s1
InChIKeyXYOUGUXSZJUWCZ-NKWVEPMBSA-N
MW294.27 g/mol
LogP0.09
Rot. Bonds2

About (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid

(2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid (PubChem CID 141283067) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
PubChem CID141283067
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name(2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
SMILESCn1nnnc1[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1C(=O)O
InChIInChI=1S/C11H14N6O4/c1-16-10(12-14-15-16)7-4-6(2-3-17(7)11(19)20)8-5-9(18)13-21-8/h5-7H,2-4H2,1H3,(H,13,18)(H,19,20)/t6-,7+/m0/s1
InChIKeyXYOUGUXSZJUWCZ-NKWVEPMBSA-N
XLogP0.09
TPSA130.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid (CID 141283067) is (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid is Cn1nnnc1[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1C(=O)O.
What is the InChIKey of (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
The InChIKey is XYOUGUXSZJUWCZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H14N6O4/c1-16-10(12-14-15-16)7-4-6(2-3-17(7)11(19)20)8-5-9(18)13-21-8/h5-7H,2-4H2,1H3,(H,13,18)(H,19,20)/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
(2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(1-methyltetrazol-5-yl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 141283067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).