(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

C11H17NO3 — CID 107000362

IUPAC(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2)6-7(11)9(13)12-5-3-4-8(12)10(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyIIFTYWMYUOLKMF-MQWKRIRWSA-N
MW211.26 g/mol
LogP1.11
Rot. Bonds2

About (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 107000362) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID107000362
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2)6-7(11)9(13)12-5-3-4-8(12)10(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyIIFTYWMYUOLKMF-MQWKRIRWSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
1-(2,2-dichlorocyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 86812705
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003183
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
(2R)-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594021
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003212
1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594408
(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 122126119
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (CID 107000362) is (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is CC1(C)CC1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IIFTYWMYUOLKMF-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2)6-7(11)9(13)12-5-3-4-8(12)10(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107000362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).