1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 61208422

IUPAC1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC1CCCN1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-10-6-5-9-15(10)12(18)14-13(11(16)17)7-3-4-8-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyYMIFEFAOAAQWEL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.97
Rot. Bonds3

About 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 61208422) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID61208422
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC1CCCN1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-10-6-5-9-15(10)12(18)14-13(11(16)17)7-3-4-8-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyYMIFEFAOAAQWEL-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83219110
1-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 102783243
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115292816
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 126431473
1-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 121499450
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
1-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103197357
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242450
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-ethylazepane-1-carbohydrazide
CID 104691127

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 61208422) is 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CCC1CCCN1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YMIFEFAOAAQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-10-6-5-9-15(10)12(18)14-13(11(16)17)7-3-4-8-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61208422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).