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

C13H23N3O3 — CID 113363870

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CCNC(=O)N1CCCC1C(=O)O)C1CC1
InChIInChI=1S/C13H23N3O3/c1-2-15(10-5-6-10)9-7-14-13(19)16-8-3-4-11(16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyAPQFKFMIZUUOIY-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds6

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

1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 113363870) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID113363870
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CCNC(=O)N1CCCC1C(=O)O)C1CC1
InChIInChI=1S/C13H23N3O3/c1-2-15(10-5-6-10)9-7-14-13(19)16-8-3-4-11(16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyAPQFKFMIZUUOIY-UHFFFAOYSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.73
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
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55097694
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 113229953
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 113363870) is 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid is CCN(CCNC(=O)N1CCCC1C(=O)O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is APQFKFMIZUUOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-15(10-5-6-10)9-7-14-13(19)16-8-3-4-11(16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113363870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).