(2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid

C11H23N3O2 — CID 66747956

IUPAC(2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CC[C@]1(C(=O)O)NCCC1N(C)C
InChIInChI=1S/C11H23N3O2/c1-13(2)8-6-11(10(15)16)9(14(3)4)5-7-12-11/h9,12H,5-8H2,1-4H3,(H,15,16)/t9?,11-/m0/s1
InChIKeyKQROVHKKVPREPO-UMJHXOGRSA-N
MW229.32 g/mol
LogP-0.31
Rot. Bonds5

About (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid

(2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 66747956) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID66747956
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CC[C@]1(C(=O)O)NCCC1N(C)C
InChIInChI=1S/C11H23N3O2/c1-13(2)8-6-11(10(15)16)9(14(3)4)5-7-12-11/h9,12H,5-8H2,1-4H3,(H,15,16)/t9?,11-/m0/s1
InChIKeyKQROVHKKVPREPO-UMJHXOGRSA-N
XLogP-0.31
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid (CID 66747956) is (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid is CN(C)CC[C@]1(C(=O)O)NCCC1N(C)C.
What is the InChIKey of (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KQROVHKKVPREPO-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13(2)8-6-11(10(15)16)9(14(3)4)5-7-12-11/h9,12H,5-8H2,1-4H3,(H,15,16)/t9?,11-/m0/s1.
What are the key properties of (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid?
(2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dimethylamino)-2-[2-(dimethylamino)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66747956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).