(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 78999354

IUPAC(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1(C)C
InChIInChI=1S/C13H23N3O4/c1-13(2)8-15(5-4-14(13)3)12(20)16-7-9(17)6-10(16)11(18)19/h9-10,17H,4-8H2,1-3H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyWPKFAWPJXPLCGF-NXEZZACHSA-N
MW285.34 g/mol
LogP-0.35
Rot. Bonds1

About (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78999354) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78999354
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1(C)C
InChIInChI=1S/C13H23N3O4/c1-13(2)8-15(5-4-14(13)3)12(20)16-7-9(17)6-10(16)11(18)19/h9-10,17H,4-8H2,1-3H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyWPKFAWPJXPLCGF-NXEZZACHSA-N
XLogP-0.35
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102744949
1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63614728
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
(2S,4R)-4-hydroxy-1-(4-hydroxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 81115602
(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63161889
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714485
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
(2S,4S)-1-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107457380

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 78999354) is (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CN1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1(C)C.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WPKFAWPJXPLCGF-NXEZZACHSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2)8-15(5-4-14(13)3)12(20)16-7-9(17)6-10(16)11(18)19/h9-10,17H,4-8H2,1-3H3,(H,18,19)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).