(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid

C13H19N3O3 — CID 135096991

IUPAC(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCCCc1cnc(N2CC[C@H](O)[C@@H](C(=O)O)C2)nc1
InChIInChI=1S/C13H19N3O3/c1-2-3-9-6-14-13(15-7-9)16-5-4-11(17)10(8-16)12(18)19/h6-7,10-11,17H,2-5,8H2,1H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyKKYQVQHAWZTRNK-QWRGUYRKSA-N
MW265.31 g/mol
LogP0.70
Rot. Bonds4

About (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid

(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 135096991) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID135096991
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCCCc1cnc(N2CC[C@H](O)[C@@H](C(=O)O)C2)nc1
InChIInChI=1S/C13H19N3O3/c1-2-3-9-6-14-13(15-7-9)16-5-4-11(17)10(8-16)12(18)19/h6-7,10-11,17H,2-5,8H2,1H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyKKYQVQHAWZTRNK-QWRGUYRKSA-N
XLogP0.70
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 116976846
1-(5-propylpyrimidin-2-yl)piperidine-4-sulfonic acid
CID 151995167
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methanesulfonic acid
CID 86658031
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
CID 155911912
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 166613520
(3aR,5R,6R,7aS)-2-(5-propylpyrimidin-2-yl)-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172661496
(3S,4R)-3-(hydroxymethyl)-3-(3-methoxypropyl)-1-(5-propylpyrimidin-2-yl)piperidin-4-ol
CID 155503908
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
2-[2-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-5-yl]acetic acid
CID 175262495

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid (CID 135096991) is (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid is CCCc1cnc(N2CC[C@H](O)[C@@H](C(=O)O)C2)nc1.
What is the InChIKey of (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is KKYQVQHAWZTRNK-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-9-6-14-13(15-7-9)16-5-4-11(17)10(8-16)12(18)19/h6-7,10-11,17H,2-5,8H2,1H3,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid?
(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 135096991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).