(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid

C8H13NO4 — CID 178194554

IUPAC(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid
SMILESCC(=O)N1CC[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(10)9-3-2-6(11)4-7(9)8(12)13/h6-7,11H,2-4H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyXZVWQNGZSWSEJO-BQBZGAKWSA-N
MW187.19 g/mol
LogP-0.56
Rot. Bonds1

About (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid

(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid (PubChem CID 178194554) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid
PubChem CID178194554
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid
SMILESCC(=O)N1CC[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(10)9-3-2-6(11)4-7(9)8(12)13/h6-7,11H,2-4H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyXZVWQNGZSWSEJO-BQBZGAKWSA-N
XLogP-0.56
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-2-carboxylic acid
CID 50949930
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid
CID 133112671
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4R)-4-hydroxy-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 133112425
(2S)-1-acetyl-4-fluoropyrrolidine-2-carboxylic acid
CID 57315166
1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82750552
(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368053

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid (CID 178194554) is (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid is CC(=O)N1CC[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid?
The InChIKey is XZVWQNGZSWSEJO-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(10)9-3-2-6(11)4-7(9)8(12)13/h6-7,11H,2-4H2,1H3,(H,12,13)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid?
(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 178194554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).