(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

C14H23N3O3 — CID 165423805

IUPAC(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCn1ncc(CN2CC[C@H](O)[C@H](C(=O)O)C2)c1C
InChIInChI=1S/C14H23N3O3/c1-3-5-17-10(2)11(7-15-17)8-16-6-4-13(18)12(9-16)14(19)20/h7,12-13,18H,3-6,8-9H2,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyGMCKCQMEHJIZTK-OLZOCXBDSA-N
MW281.36 g/mol
LogP0.87
Rot. Bonds5

About (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 165423805) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID165423805
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCn1ncc(CN2CC[C@H](O)[C@H](C(=O)O)C2)c1C
InChIInChI=1S/C14H23N3O3/c1-3-5-17-10(2)11(7-15-17)8-16-6-4-13(18)12(9-16)14(19)20/h7,12-13,18H,3-6,8-9H2,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyGMCKCQMEHJIZTK-OLZOCXBDSA-N
XLogP0.87
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 165423805) is (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is CCCn1ncc(CN2CC[C@H](O)[C@H](C(=O)O)C2)c1C.
What is the InChIKey of (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is GMCKCQMEHJIZTK-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-17-10(2)11(7-15-17)8-16-6-4-13(18)12(9-16)14(19)20/h7,12-13,18H,3-6,8-9H2,1-2H3,(H,19,20)/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 165423805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).