(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid

C11H21N3O3 — CID 55226778

IUPAC(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCN(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-12(2)7-8-13(3)11(17)14-6-4-5-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyMKSZQBTVNYXGFX-SECBINFHSA-N
MW243.31 g/mol
LogP0.15
Rot. Bonds4

About (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 55226778) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID55226778
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCN(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-12(2)7-8-13(3)11(17)14-6-4-5-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyMKSZQBTVNYXGFX-SECBINFHSA-N
XLogP0.15
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110
(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78967840
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561
(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922463
(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-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 55226778) is (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid is CN(C)CCN(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MKSZQBTVNYXGFX-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-12(2)7-8-13(3)11(17)14-6-4-5-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55226778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).