(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid

C17H23NO4 — CID 50949930

IUPAC(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)12-6-4-11(5-7-12)15(20)18-9-8-13(19)10-14(18)16(21)22/h4-7,13-14,19H,8-10H2,1-3H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyCKSKMWAWHHFXNU-UONOGXRCSA-N
MW305.37 g/mol
LogP2.03
Rot. Bonds2

About (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid

(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid (PubChem CID 50949930) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid
PubChem CID50949930
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)12-6-4-11(5-7-12)15(20)18-9-8-13(19)10-14(18)16(21)22/h4-7,13-14,19H,8-10H2,1-3H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyCKSKMWAWHHFXNU-UONOGXRCSA-N
XLogP2.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid
CID 178194554
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-4-hydroxy-1-(4-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid
CID 79000986
[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285892
1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356772
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-(4-cyanobenzoyl)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 134078784
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine
CID 67241177
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 102559914
(2S,4R)-1-[4-(aminomethyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55261895

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid (CID 50949930) is (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid is CC(C)(C)c1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid?
The InChIKey is CKSKMWAWHHFXNU-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)12-6-4-11(5-7-12)15(20)18-9-8-13(19)10-14(18)16(21)22/h4-7,13-14,19H,8-10H2,1-3H3,(H,21,22)/t13-,14+/m0/s1.
What are the key properties of (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid?
(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 50949930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).