(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid

C12H19NO4 — CID 107175592

IUPAC(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCC1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-3-2-4-9(7)11(15)13-6-8(14)5-10(13)12(16)17/h7-10,14H,2-6H2,1H3,(H,16,17)/t7?,8-,9?,10-/m1/s1
InChIKeyPFMABGFXRWAXGL-QLVNRRSVSA-N
MW241.29 g/mol
LogP0.47
Rot. Bonds2

About (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 107175592) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID107175592
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCC1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H19NO4/c1-7-3-2-4-9(7)11(15)13-6-8(14)5-10(13)12(16)17/h7-10,14H,2-6H2,1H3,(H,16,17)/t7?,8-,9?,10-/m1/s1
InChIKeyPFMABGFXRWAXGL-QLVNRRSVSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001244
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000169
(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 122126119
(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81325341
(2S,4S)-1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83019671
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid
CID 107175886
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid (CID 107175592) is (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid is CC1CCCC1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PFMABGFXRWAXGL-QLVNRRSVSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-3-2-4-9(7)11(15)13-6-8(14)5-10(13)12(16)17/h7-10,14H,2-6H2,1H3,(H,16,17)/t7?,8-,9?,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107175592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).