(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid

C11H19NO3 — CID 78922033

IUPAC(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-5-8(2)10(13)12-7-4-6-9(12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyDGSSAQNZPFKPLT-YGPZHTELSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds4

About (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922033) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID78922033
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-5-8(2)10(13)12-7-4-6-9(12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyDGSSAQNZPFKPLT-YGPZHTELSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
1-(2-methylhexanoyl)azocane-2-carboxylic acid
CID 114246096
1-[(2S)-2-methyl-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 69024152
1-(2-propylpentanoyl)piperidine-2-carboxylic acid
CID 53215619
(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]diselanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 53343050
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
(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
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid (CID 78922033) is (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid is CCCC(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DGSSAQNZPFKPLT-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-5-8(2)10(13)12-7-4-6-9(12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).