4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide

C11H20N2O3 — CID 79207526

IUPAC4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
SMILESCOC(OC)C(C)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C11H20N2O3/c1-7(11(15-2)16-3)13-10(14)8-4-5-9(12)6-8/h4-5,7-9,11H,6,12H2,1-3H3,(H,13,14)
InChIKeyHEDDPUIBJVNZES-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds5

About 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207526) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79207526
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
SMILESCOC(OC)C(C)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C11H20N2O3/c1-7(11(15-2)16-3)13-10(14)8-4-5-9(12)6-8/h4-5,7-9,11H,6,12H2,1-3H3,(H,13,14)
InChIKeyHEDDPUIBJVNZES-UHFFFAOYSA-N
XLogP0.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
4-amino-N-pentan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211383
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81078810
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
CID 81390649
4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207896
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79207589
3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106109009
4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79210528
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide (CID 79207526) is 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide is COC(OC)C(C)NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is HEDDPUIBJVNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(11(15-2)16-3)13-10(14)8-4-5-9(12)6-8/h4-5,7-9,11H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).