(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 83199631

IUPAC(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1C[C@H](O)C[C@@H]1C(=O)O)C1CCCNC1
InChIInChI=1S/C14H24N2O4/c1-14(2,9-4-3-5-15-7-9)13(20)16-8-10(17)6-11(16)12(18)19/h9-11,15,17H,3-8H2,1-2H3,(H,18,19)/t9?,10-,11-/m1/s1
InChIKeyQQDOXBMKUSDWML-FHZGLPGMSA-N
MW284.36 g/mol
LogP0.06
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83199631) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID83199631
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1C[C@H](O)C[C@@H]1C(=O)O)C1CCCNC1
InChIInChI=1S/C14H24N2O4/c1-14(2,9-4-3-5-15-7-9)13(20)16-8-10(17)6-11(16)12(18)19/h9-11,15,17H,3-8H2,1-2H3,(H,18,19)/t9?,10-,11-/m1/s1
InChIKeyQQDOXBMKUSDWML-FHZGLPGMSA-N
XLogP0.06
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
(2S,4S)-4-hydroxy-1-[(3R)-piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 81134398
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholine-3-carboxamide
CID 83198470
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 83198584
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199895
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83198699
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid (CID 83199631) is (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)(C(=O)N1C[C@H](O)C[C@@H]1C(=O)O)C1CCCNC1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QQDOXBMKUSDWML-FHZGLPGMSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,9-4-3-5-15-7-9)13(20)16-8-10(17)6-11(16)12(18)19/h9-11,15,17H,3-8H2,1-2H3,(H,18,19)/t9?,10-,11-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83199631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).