(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid

C11H21N3O3 — CID 55097694

IUPAC(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(C)CCNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-13(2)8-6-12-11(17)14-7-4-5-9(14)10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyFNCMOOCIPVMWMC-VIFPVBQESA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds5

About (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 55097694) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID55097694
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(C)CCNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-13(2)8-6-12-11(17)14-7-4-5-9(14)10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyFNCMOOCIPVMWMC-VIFPVBQESA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363870
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 55097694) is (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid is CCN(C)CCNC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FNCMOOCIPVMWMC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-13(2)8-6-12-11(17)14-7-4-5-9(14)10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55097694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).