1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid

C14H20N2O4 — CID 79325566

IUPAC1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCCOC1CCCC1
InChIInChI=1S/C14H20N2O4/c17-13(10-16-8-3-6-12(16)14(18)19)15-7-9-20-11-4-1-2-5-11/h3,6,8,11H,1-2,4-5,7,9-10H2,(H,15,17)(H,18,19)
InChIKeyVQFRPIIBSQFRAB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.26
Rot. Bonds7

About 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79325566) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79325566
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCCOC1CCCC1
InChIInChI=1S/C14H20N2O4/c17-13(10-16-8-3-6-12(16)14(18)19)15-7-9-20-11-4-1-2-5-11/h3,6,8,11H,1-2,4-5,7,9-10H2,(H,15,17)(H,18,19)
InChIKeyVQFRPIIBSQFRAB-UHFFFAOYSA-N
XLogP1.26
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 74246595
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897
N-(3-cyclopentyloxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 49047645
1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325040
1-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324219
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
CID 83023632
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 106341876
1-[2-[(1,1-dioxothiolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325127
1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114106805
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
1-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324424
1-[2-[(1,1-dioxothian-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79325566) is 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)NCCOC1CCCC1.
What is the InChIKey of 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is VQFRPIIBSQFRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-13(10-16-8-3-6-12(16)14(18)19)15-7-9-20-11-4-1-2-5-11/h3,6,8,11H,1-2,4-5,7,9-10H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79325566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).