2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

C13H23N3O3 — CID 62978547

IUPAC2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(CCNC(=O)N1CCCC1CC(=O)O)C1CC1
InChIInChI=1S/C13H23N3O3/c1-15(10-4-5-10)8-6-14-13(19)16-7-2-3-11(16)9-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyQLFOKKCOOLWBQG-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds6

About 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 62978547) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID62978547
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(CCNC(=O)N1CCCC1CC(=O)O)C1CC1
InChIInChI=1S/C13H23N3O3/c1-15(10-4-5-10)8-6-14-13(19)16-7-2-3-11(16)9-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyQLFOKKCOOLWBQG-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

3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62980664
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372331
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 62978191
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 62978547) is 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is CN(CCNC(=O)N1CCCC1CC(=O)O)C1CC1.
What is the InChIKey of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is QLFOKKCOOLWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15(10-4-5-10)8-6-14-13(19)16-7-2-3-11(16)9-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic 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 2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 62978547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).