N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide

C13H24N2O — CID 115310441

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC(C)C(C)(CN)NC(=O)CC1C=CCC1
InChIInChI=1S/C13H24N2O/c1-10(2)13(3,9-14)15-12(16)8-11-6-4-5-7-11/h4,6,10-11H,5,7-9,14H2,1-3H3,(H,15,16)
InChIKeyCYKHVBAPOAMSDF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 115310441) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID115310441
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC(C)C(C)(CN)NC(=O)CC1C=CCC1
InChIInChI=1S/C13H24N2O/c1-10(2)13(3,9-14)15-12(16)8-11-6-4-5-7-11/h4,6,10-11H,5,7-9,14H2,1-3H3,(H,15,16)
InChIKeyCYKHVBAPOAMSDF-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
CID 81004154
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
CID 119606072
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
methyl (2S)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630238
methyl (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630239
2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
CID 64539561
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
CID 97079501
2-cyclopent-2-en-1-yl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058863
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide (CID 115310441) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide is CC(C)C(C)(CN)NC(=O)CC1C=CCC1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is CYKHVBAPOAMSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)13(3,9-14)15-12(16)8-11-6-4-5-7-11/h4,6,10-11H,5,7-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 224.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 115310441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).