1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid

C10H17NO3 — CID 2740698

IUPAC1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO3/c1-10(2,3)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPKLZSYAHHJSOFE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds1

About 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid

1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 2740698) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID2740698
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO3/c1-10(2,3)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPKLZSYAHHJSOFE-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 643474
N-acetyl-D-proline
CID 719436
N,N-Dimethylproline
CID 448301
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
CID 85083
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CID 447055
1-(2-Methyl-3-sulfanylpropanoyl)proline
CID 2550
Lauroyl Proline
CID 10108670
1-formyl-L-proline
CID 96434

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid (CID 2740698) is 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)(C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PKLZSYAHHJSOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2740698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).