1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid

C10H17NO3 — CID 16781860

IUPAC1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-7(2)9(12)11-6-4-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyANIMVZWLHIHESD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds3

About 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid

1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 16781860) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID16781860
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-7(2)9(12)11-6-4-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyANIMVZWLHIHESD-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
1-[(2S)-2-methyl-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 69024152
(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]diselanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 53343050
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
(2S)-1-[(2S)-2-methyl-3-[(S)-methylsulfinyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 95198717
(2S)-1-(2-methyl-4-sulfanylidenepentanoyl)pyrrolidine-2-carboxylic acid
CID 174794820
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S,3S)-2-methyl-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 122115222
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid (CID 16781860) is 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid is CCC(C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ANIMVZWLHIHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-7(2)9(12)11-6-4-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid?
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16781860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).