4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide

C12H21N3O2 — CID 79211449

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H21N3O2/c1-8(2)6-15(7-11(14)16)12(17)9-3-4-10(13)5-9/h3-4,8-10H,5-7,13H2,1-2H3,(H2,14,16)
InChIKeyWRKHRTONTKHMDC-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.14
Rot. Bonds5

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

4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211449) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211449
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H21N3O2/c1-8(2)6-15(7-11(14)16)12(17)9-3-4-10(13)5-9/h3-4,8-10H,5-7,13H2,1-2H3,(H2,14,16)
InChIKeyWRKHRTONTKHMDC-UHFFFAOYSA-N
XLogP-0.14
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.14
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

2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 114995361
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211082
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
CID 79210326
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopent-2-ene-1-carboxamide
CID 79210846
N-(2-amino-2-oxoethyl)-4-hydroxy-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60963717
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide
CID 129399481
4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210568
N-(2-amino-2-oxoethyl)-2-(cyclopentylamino)-N-(2-methylpropyl)acetamide
CID 60962630
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
CID 55003671
4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210719

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide (CID 79211449) is 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide is CC(C)CN(CC(N)=O)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WRKHRTONTKHMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)6-15(7-11(14)16)12(17)9-3-4-10(13)5-9/h3-4,8-10H,5-7,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.14, 5 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-(2-methylpropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).