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

C13H22N2O3 — CID 83072401

IUPAC2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)NC2CCCC2C(=O)O)CCCN1
InChIInChI=1S/C13H22N2O3/c1-2-13(7-4-8-14-13)12(18)15-10-6-3-5-9(10)11(16)17/h9-10,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyDBLKICVDRSFLRP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.89
Rot. Bonds4

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

2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 83072401) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID83072401
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)NC2CCCC2C(=O)O)CCCN1
InChIInChI=1S/C13H22N2O3/c1-2-13(7-4-8-14-13)12(18)15-10-6-3-5-9(10)11(16)17/h9-10,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyDBLKICVDRSFLRP-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83071541
N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071697
2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 114123001
3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 83072478
N-(2,6-dimethylpiperidin-1-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83074390
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-[(4-propylpiperidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64815004
2-ethyl-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 83071590
2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813514
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
2-ethyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071438
1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 83073136

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 83072401) is 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is CCC1(C(=O)NC2CCCC2C(=O)O)CCCN1.
What is the InChIKey of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DBLKICVDRSFLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-13(7-4-8-14-13)12(18)15-10-6-3-5-9(10)11(16)17/h9-10,14H,2-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83072401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).