4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide

C13H21N3O2 — CID 79210326

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
SMILESNC(=O)CN(C(=O)C1C=CC(N)C1)C1CCCC1
InChIInChI=1S/C13H21N3O2/c14-10-6-5-9(7-10)13(18)16(8-12(15)17)11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,14H2,(H2,15,17)
InChIKeyYHWYIHIJOUFTCS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.15
Rot. Bonds4

About 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide (PubChem CID 79210326) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
PubChem CID79210326
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
SMILESNC(=O)CN(C(=O)C1C=CC(N)C1)C1CCCC1
InChIInChI=1S/C13H21N3O2/c14-10-6-5-9(7-10)13(18)16(8-12(15)17)11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,14H2,(H2,15,17)
InChIKeyYHWYIHIJOUFTCS-UHFFFAOYSA-N
XLogP0.15
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclohexyl-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211073
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
CID 102861672
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide
CID 79211449
4-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79210135
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120
4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79211040
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60946342
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
(2R)-N-(2-amino-2-oxoethyl)-N-cyclopentylpyrrolidine-2-carboxamide
CID 93372174
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylcyclopentanecarboxamide
CID 54923795
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 62782563

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide (CID 79210326) is 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide is NC(=O)CN(C(=O)C1C=CC(N)C1)C1CCCC1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide?
The InChIKey is YHWYIHIJOUFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-10-6-5-9(7-10)13(18)16(8-12(15)17)11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,14H2,(H2,15,17).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).