(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

C14H24N2O5 — CID 102744949

IUPAC(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C14H24N2O5/c1-13(2)7-15(8-14(3,4)21-13)12(20)16-6-9(17)5-10(16)11(18)19/h9-10,17H,5-8H2,1-4H3,(H,18,19)/t9-,10+/m1/s1
InChIKeyFEQXUNKVMVOZCR-ZJUUUORDSA-N
MW300.36 g/mol
LogP0.52
Rot. Bonds1

About (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102744949) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102744949
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C14H24N2O5/c1-13(2)7-15(8-14(3,4)21-13)12(20)16-6-9(17)5-10(16)11(18)19/h9-10,17H,5-8H2,1-4H3,(H,18,19)/t9-,10+/m1/s1
InChIKeyFEQXUNKVMVOZCR-ZJUUUORDSA-N
XLogP0.52
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999354
(2S,4R)-4-hydroxy-1-(4-hydroxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 81115602
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 66371673
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63161889
(2S,4S)-1-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107457380
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55032221
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 102744949) is (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is CC1(C)CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC(C)(C)O1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FEQXUNKVMVOZCR-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-13(2)7-15(8-14(3,4)21-13)12(20)16-6-9(17)5-10(16)11(18)19/h9-10,17H,5-8H2,1-4H3,(H,18,19)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102744949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).