(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H22N2O3 — CID 78922876

IUPAC(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCC(C)N(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-6-9(2)13(3)12(17)14-8-5-7-10(14)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyTYTLNSGTKPJGGX-QVDQXJPCSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds4

About (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922876) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922876
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCC(C)N(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-6-9(2)13(3)12(17)14-8-5-7-10(14)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyTYTLNSGTKPJGGX-QVDQXJPCSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202504
(2S)-1-(4-oxo-2-propylpentanethioyl)pyrrolidine-2-carboxylic acid
CID 88769801
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
(2S,4S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713742
(2S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202534
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[methyl(3-methylbutan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64561748
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
1-[butan-2-yl(ethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199849
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78922876) is (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CCCC(C)N(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is TYTLNSGTKPJGGX-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-6-9(2)13(3)12(17)14-8-5-7-10(14)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)/t9?,10-/m1/s1.
What are the key properties of (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).