1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

C10H19N3O3 — CID 61188498

IUPAC1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H19N3O3/c1-12(2)7-5-11-10(16)13-6-3-4-8(13)9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyVLMCCISZBQJYCF-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.19
Rot. Bonds4

About 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61188498) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61188498
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H19N3O3/c1-12(2)7-5-11-10(16)13-6-3-4-8(13)9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyVLMCCISZBQJYCF-UHFFFAOYSA-N
XLogP-0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55097694
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363870
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2R)-1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923191
1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61181569
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61193747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 61188498) is 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is CN(C)CCNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VLMCCISZBQJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-12(2)7-5-11-10(16)13-6-3-4-8(13)9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61188498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).