(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid

C15H21N3O4 — CID 155914161

IUPAC(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCOc1cnc(N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)nc1
InChIInChI=1S/C15H21N3O4/c1-22-11-7-16-14(17-8-11)18-5-4-12(19)15(9-18,13(20)21)6-10-2-3-10/h7-8,10,12,19H,2-6,9H2,1H3,(H,20,21)/t12-,15-/m1/s1
InChIKeyQUGQHCCAOHSBTG-IUODEOHRSA-N
MW307.35 g/mol
LogP0.93
Rot. Bonds5

About (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid

(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 155914161) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID155914161
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCOc1cnc(N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)nc1
InChIInChI=1S/C15H21N3O4/c1-22-11-7-16-14(17-8-11)18-5-4-12(19)15(9-18,13(20)21)6-10-2-3-10/h7-8,10,12,19H,2-6,9H2,1H3,(H,20,21)/t12-,15-/m1/s1
InChIKeyQUGQHCCAOHSBTG-IUODEOHRSA-N
XLogP0.93
TPSA95.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid (CID 155914161) is (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid is COc1cnc(N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)nc1.
What is the InChIKey of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is QUGQHCCAOHSBTG-IUODEOHRSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-22-11-7-16-14(17-8-11)18-5-4-12(19)15(9-18,13(20)21)6-10-2-3-10/h7-8,10,12,19H,2-6,9H2,1H3,(H,20,21)/t12-,15-/m1/s1.
What are the key properties of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 155914161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).