(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

C10H19N3O3 — CID 46201147

IUPAC(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)CCNC(=O)[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C10H19N3O3/c1-13(2)4-3-12-9(14)7-5-11-6-8(7)10(15)16/h7-8,11H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyHJIDRTNTKNWSIL-SFYZADRCSA-N
MW229.28 g/mol
LogP-1.42
Rot. Bonds5

About (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid

(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 46201147) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID46201147
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C)CCNC(=O)[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C10H19N3O3/c1-13(2)4-3-12-9(14)7-5-11-6-8(7)10(15)16/h7-8,11H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyHJIDRTNTKNWSIL-SFYZADRCSA-N
XLogP-1.42
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 46201147) is (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is CN(C)CCNC(=O)[C@@H]1CNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HJIDRTNTKNWSIL-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-13(2)4-3-12-9(14)7-5-11-6-8(7)10(15)16/h7-8,11H,3-6H2,1-2H3,(H,12,14)(H,15,16)/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid?
(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 46201147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).