2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 83220052

IUPAC2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C)N1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-12-8-7-10(2)17(12)15(20)16-9-11-5-4-6-13(11)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFLBFNAHLXLEHEE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds4

About 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 83220052) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID83220052
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C)N1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-12-8-7-10(2)17(12)15(20)16-9-11-5-4-6-13(11)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFLBFNAHLXLEHEE-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
(2-aminocyclopentyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83228180
2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81463935
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 83218786
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 116635555
2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81116282
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
(2-aminocycloheptyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227366

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 83220052) is 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is CCC1CCC(C)N1C(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FLBFNAHLXLEHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-12-8-7-10(2)17(12)15(20)16-9-11-5-4-6-13(11)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83220052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).