(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid

C11H19NO3 — CID 133112671

IUPAC(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid
SMILESC/C=C(\C)CN1CC[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-8(2)7-12-5-4-9(13)6-10(12)11(14)15/h3,9-10,13H,4-7H2,1-2H3,(H,14,15)/b8-3+/t9-,10+/m1/s1
InChIKeyAMRGZEVUGSESAW-UNLJNPQMSA-N
MW213.28 g/mol
LogP0.86
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid (PubChem CID 133112671) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid
PubChem CID133112671
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid
SMILESC/C=C(\C)CN1CC[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-8(2)7-12-5-4-9(13)6-10(12)11(14)15/h3,9-10,13H,4-7H2,1-2H3,(H,14,15)/b8-3+/t9-,10+/m1/s1
InChIKeyAMRGZEVUGSESAW-UNLJNPQMSA-N
XLogP0.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106439330
(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid
CID 66993125
(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid
CID 178194554
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
1-(3-chloro-2-methylprop-2-enyl)azepane-2-carboxylic acid
CID 106439274
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50981156
1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
CID 43441382
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid
CID 171138236
1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426797
4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 114351482

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid (CID 133112671) is (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid is C/C=C(\C)CN1CC[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid?
The InChIKey is AMRGZEVUGSESAW-UNLJNPQMSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-8(2)7-12-5-4-9(13)6-10(12)11(14)15/h3,9-10,13H,4-7H2,1-2H3,(H,14,15)/b8-3+/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 133112671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).