(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid

C13H21NO3 — CID 107175429

IUPAC(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CCCC1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H21NO3/c1-13(2)7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)/t9?,10-/m1/s1
InChIKeyMQLCOICYBZIFHO-QVDQXJPCSA-N
MW239.31 g/mol
LogP1.89
Rot. Bonds2

About (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 107175429) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID107175429
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CCCC1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H21NO3/c1-13(2)7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)/t9?,10-/m1/s1
InChIKeyMQLCOICYBZIFHO-QVDQXJPCSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107000362
1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 107175943
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107175135
1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 86812705
(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 107180505
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 107175956
[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 112748442
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
(2R)-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594021
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid (CID 107175429) is (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid is CC1(C)CCCC1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MQLCOICYBZIFHO-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2)7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107175429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).